3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide

C20H27N3O2 — CID 136521896

IUPAC3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c24-19-11-17(14-23(19)18-6-7-18)12-21-20(25)22-9-8-16(13-22)10-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)
InChIKeyNSWXOXUXFADBGF-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.27
Rot. Bonds5

About 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide

3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 136521896) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID136521896
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c24-19-11-17(14-23(19)18-6-7-18)12-21-20(25)22-9-8-16(13-22)10-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)
InChIKeyNSWXOXUXFADBGF-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 126449902
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 136521897
4-benzyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 35673121
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 91772754
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
(3S)-3-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 95930872
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 136521896) is 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCC1CC(=O)N(C2CC2)C1)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is NSWXOXUXFADBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19-11-17(14-23(19)18-6-7-18)12-21-20(25)22-9-8-16(13-22)10-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25).
What are the key properties of 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide?
3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136521896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).