1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide

C20H29N3O2 — CID 51098589

IUPAC1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESO=C(CCNC(=O)C1CCCN1Cc1ccccc1)NC1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(22-17-9-4-5-10-17)12-13-21-20(25)18-11-6-14-23(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15H2,(H,21,25)(H,22,24)
InChIKeyWURVHZQLANNXDO-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.22
Rot. Bonds7

About 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide

1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 51098589) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID51098589
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESO=C(CCNC(=O)C1CCCN1Cc1ccccc1)NC1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(22-17-9-4-5-10-17)12-13-21-20(25)18-11-6-14-23(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15H2,(H,21,25)(H,22,24)
InChIKeyWURVHZQLANNXDO-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
CID 51093260
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide (CID 51098589) is 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide is O=C(CCNC(=O)C1CCCN1Cc1ccccc1)NC1CCCC1.
What is the InChIKey of 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is WURVHZQLANNXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-17-9-4-5-10-17)12-13-21-20(25)18-11-6-14-23(18)15-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15H2,(H,21,25)(H,22,24).
What are the key properties of 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51098589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).