N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide

C28H38N4O4 — CID 143608946

IUPACN-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
SMILESCN[C@H]1CN(C(=O)C2(NC(=O)c3ccc(C4CCN(C5CC5)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C28H38N4O4/c1-29-22-16-32(24-23(33)17-36-25(22)24)27(35)28(12-2-3-13-28)30-26(34)20-6-4-18(5-7-20)19-10-14-31(15-11-19)21-8-9-21/h4-7,19,21-22,24-25,29H,2-3,8-17H2,1H3,(H,30,34)/t22-,24+,25+/m0/s1
InChIKeyBZVJGNGZPKJKAO-ICDZXHCJSA-N
MW494.64 g/mol
LogP1.84
Rot. Bonds6

About N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide

N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide (PubChem CID 143608946) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
PubChem CID143608946
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
SMILESCN[C@H]1CN(C(=O)C2(NC(=O)c3ccc(C4CCN(C5CC5)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C28H38N4O4/c1-29-22-16-32(24-23(33)17-36-25(22)24)27(35)28(12-2-3-13-28)30-26(34)20-6-4-18(5-7-20)19-10-14-31(15-11-19)21-8-9-21/h4-7,19,21-22,24-25,29H,2-3,8-17H2,1H3,(H,30,34)/t22-,24+,25+/m0/s1
InChIKeyBZVJGNGZPKJKAO-ICDZXHCJSA-N
XLogP1.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

N-[1-[(3aS,6S,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 24891655
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 143608966
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide
CID 24891453
N-[1-[(3aS,6S,6aS)-6-azido-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-cyclobutylpiperidin-4-yl)benzamide
CID 143609004
N-[(2S)-1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 68511793
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24891065
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
CID 143609041
N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide
CID 143609091
N-[1-[(3aS,6S,6aS)-6-azido-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 143609141
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 143609055
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24891220
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
CID 24891057

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?
The IUPAC name of N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide (CID 143608946) is N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide is CN[C@H]1CN(C(=O)C2(NC(=O)c3ccc(C4CCN(C5CC5)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@H]12.
What is the InChIKey of N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?
The InChIKey is BZVJGNGZPKJKAO-ICDZXHCJSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-29-22-16-32(24-23(33)17-36-25(22)24)27(35)28(12-2-3-13-28)30-26(34)20-6-4-18(5-7-20)19-10-14-31(15-11-19)21-8-9-21/h4-7,19,21-22,24-25,29H,2-3,8-17H2,1H3,(H,30,34)/t22-,24+,25+/m0/s1.
What are the key properties of N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?
N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide has a molecular weight of 494.64 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide is sourced from PubChem (CID 143608946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).