N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C17H28N4O2 — CID 136521897

IUPACN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H28N4O2/c22-16-9-13(11-21(16)14-3-4-14)10-18-17(23)20-8-5-15(12-20)19-6-1-2-7-19/h13-15H,1-12H2,(H,18,23)
InChIKeyAJNVNETXTBYHHE-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.88
Rot. Bonds4

About N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 136521897) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID136521897
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H28N4O2/c22-16-9-13(11-21(16)14-3-4-14)10-18-17(23)20-8-5-15(12-20)19-6-1-2-7-19/h13-15H,1-12H2,(H,18,23)
InChIKeyAJNVNETXTBYHHE-UHFFFAOYSA-N
XLogP0.88
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136521896
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 126449902
1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451632
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110719904
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 126795613
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 136521897) is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(NCC1CC(=O)N(C2CC2)C1)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is AJNVNETXTBYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-16-9-13(11-21(16)14-3-4-14)10-18-17(23)20-8-5-15(12-20)19-6-1-2-7-19/h13-15H,1-12H2,(H,18,23).
What are the key properties of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136521897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).