(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

C78H87N9O9 — CID 158693057

IUPAC(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CCCC3)cc2)C1.O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C1.O=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C36H38N4O4.C26H29N3O3.C16H20N2O2/c41-33(37-31-19-29(31)23-7-3-1-4-8-23)27-15-17-39(21-27)35(43)25-11-13-26(14-12-25)36(44)40-18-16-28(22-40)34(42)38-32-20-30(32)24-9-5-2-6-10-24;30-24(27-23-16-22(23)18-6-2-1-3-7-18)21-12-15-29(17-21)26(32)20-10-8-19(9-11-20)25(31)28-13-4-5-14-28;19-15(17-9-1-2-10-17)13-5-7-14(8-6-13)16(20)18-11-3-4-12-18/h1-14,27-32H,15-22H2,(H,37,41)(H,38,42);1-3,6-11,21-23H,4-5,12-17H2,(H,27,30);5-8H,1-4,9-12H2/t27-,28-,29+,30+,31-,32-;21-,22+,23-;/m00./s1
InChIKeyIGPBLTNSSOSGHG-RUULKYIRSA-N
MW1294.61 g/mol
LogP9.17
Rot. Bonds15

About (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 158693057) has the molecular formula C78H87N9O9 and a molecular weight of 1294.61 g/mol. Its IUPAC name is (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID158693057
Molecular FormulaC78H87N9O9
Molecular Weight1294.61 g/mol
Exact Mass1293.66
IUPAC Name(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CCCC3)cc2)C1.O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C1.O=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C36H38N4O4.C26H29N3O3.C16H20N2O2/c41-33(37-31-19-29(31)23-7-3-1-4-8-23)27-15-17-39(21-27)35(43)25-11-13-26(14-12-25)36(44)40-18-16-28(22-40)34(42)38-32-20-30(32)24-9-5-2-6-10-24;30-24(27-23-16-22(23)18-6-2-1-3-7-18)21-12-15-29(17-21)26(32)20-10-8-19(9-11-20)25(31)28-13-4-5-14-28;19-15(17-9-1-2-10-17)13-5-7-14(8-6-13)16(20)18-11-3-4-12-18/h1-14,27-32H,15-22H2,(H,37,41)(H,38,42);1-3,6-11,21-23H,4-5,12-17H2,(H,27,30);5-8H,1-4,9-12H2/t27-,28-,29+,30+,31-,32-;21-,22+,23-;/m00./s1
InChIKeyIGPBLTNSSOSGHG-RUULKYIRSA-N
XLogP9.17
TPSA209.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.61
LogP ≤ 59.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-(tetradecylcarbamoyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154586656
(3S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[4-[(3S,4S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]-4-[[(2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]phenyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154971108
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
CID 95196037
(3S,4S)-1-(4-cyanobenzoyl)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 167357027
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151
(3S,4S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3R)-3-(tridecylcarbamoylamino)piperidine-1-carbonyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 167526131
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120577067
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 158693057) is (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CCCC3)cc2)C1.O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C1.O=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1.
What is the InChIKey of (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IGPBLTNSSOSGHG-RUULKYIRSA-N. The full InChI is InChI=1S/C36H38N4O4.C26H29N3O3.C16H20N2O2/c41-33(37-31-19-29(31)23-7-3-1-4-8-23)27-15-17-39(21-27)35(43)25-11-13-26(14-12-25)36(44)40-18-16-28(22-40)34(42)38-32-20-30(32)24-9-5-2-6-10-24;30-24(27-23-16-22(23)18-6-2-1-3-7-18)21-12-15-29(17-21)26(32)20-10-8-19(9-11-20)25(31)28-13-4-5-14-28;19-15(17-9-1-2-10-17)13-5-7-14(8-6-13)16(20)18-11-3-4-12-18/h1-14,27-32H,15-22H2,(H,37,41)(H,38,42);1-3,6-11,21-23H,4-5,12-17H2,(H,27,30);5-8H,1-4,9-12H2/t27-,28-,29+,30+,31-,32-;21-,22+,23-;/m00./s1.
What are the key properties of (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 1294.61 g/mol, XLogP of 9.17, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158693057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).