(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide

C29H36N4O2 — CID 140568127

IUPAC(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C29H36N4O2/c34-27(32-24-11-10-21-8-4-5-9-23(21)24)26-16-22(20-6-2-1-3-7-20)18-33(26)28(35)25-17-29(19-31-25)12-14-30-15-13-29/h1-9,22,24-26,30-31H,10-19H2,(H,32,34)/t22-,24+,25?,26-/m0/s1
InChIKeyICVWZJYZCFBWDS-JKALNNFOSA-N
MW472.63 g/mol
LogP2.91
Rot. Bonds4

About (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide

(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide (PubChem CID 140568127) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
PubChem CID140568127
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C29H36N4O2/c34-27(32-24-11-10-21-8-4-5-9-23(21)24)26-16-22(20-6-2-1-3-7-20)18-33(26)28(35)25-17-29(19-31-25)12-14-30-15-13-29/h1-9,22,24-26,30-31H,10-19H2,(H,32,34)/t22-,24+,25?,26-/m0/s1
InChIKeyICVWZJYZCFBWDS-JKALNNFOSA-N
XLogP2.91
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide 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

N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 44599520
cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912780
1-[3-(1-aminoethyl)benzoyl]-N-(2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidine-2-carboxamide
CID 67176089
(2S,4R)-1-[4-(1-aminoethyl)-5-methylfuran-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 67176583
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-yl)-4-phenylpyrrolidine-2-carboxamide
CID 67176167
(2S,4R)-1-[4-(aminomethyl)-5-(2-methylpropyl)furan-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 67386083
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
N-(2,3-dihydro-1H-inden-1-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119696998
(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
CID 56706776
N-(2,3-dihydro-1H-inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619174
(2R,4R)-1-acetyl-N-[(5R)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 129432640

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide (CID 140568127) is (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide is O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is ICVWZJYZCFBWDS-JKALNNFOSA-N. The full InChI is InChI=1S/C29H36N4O2/c34-27(32-24-11-10-21-8-4-5-9-23(21)24)26-16-22(20-6-2-1-3-7-20)18-33(26)28(35)25-17-29(19-31-25)12-14-30-15-13-29/h1-9,22,24-26,30-31H,10-19H2,(H,32,34)/t22-,24+,25?,26-/m0/s1.
What are the key properties of (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide?
(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 140568127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).