(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide

C21H31N3O — CID 98786419

IUPAC(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@H]1C1CCCC1
InChIInChI=1S/C21H31N3O/c25-21(24-13-6-11-20(24)18-7-4-5-8-18)22-15-17-12-14-23(16-17)19-9-2-1-3-10-19/h1-3,9-10,17-18,20H,4-8,11-16H2,(H,22,25)/t17-,20-/m0/s1
InChIKeyRRPXIXPGPJHVOS-PXNSSMCTSA-N
MW341.50 g/mol
LogP3.88
Rot. Bonds4

About (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide

(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 98786419) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID98786419
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@H]1C1CCCC1
InChIInChI=1S/C21H31N3O/c25-21(24-13-6-11-20(24)18-7-4-5-8-18)22-15-17-12-14-23(16-17)19-9-2-1-3-10-19/h1-3,9-10,17-18,20H,4-8,11-16H2,(H,22,25)/t17-,20-/m0/s1
InChIKeyRRPXIXPGPJHVOS-PXNSSMCTSA-N
XLogP3.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
CID 55809651
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119525
2-(1-phenylpiperidin-3-yl)piperidine-1-carboxamide
CID 68930873
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124787391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide (CID 98786419) is (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide is O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@H]1C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is RRPXIXPGPJHVOS-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(24-13-6-11-20(24)18-7-4-5-8-18)22-15-17-12-14-23(16-17)19-9-2-1-3-10-19/h1-3,9-10,17-18,20H,4-8,11-16H2,(H,22,25)/t17-,20-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
(2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 98786419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).