1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile

C18H26N4O — CID 141144241

IUPAC1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C[C@H]2CC[C@H](NCC(=O)n3cccc3)C2)CC1
InChIInChI=1S/C18H26N4O/c19-12-15-5-9-21(10-6-15)14-16-3-4-17(11-16)20-13-18(23)22-7-1-2-8-22/h1-2,7-8,15-17,20H,3-6,9-11,13-14H2/t16-,17-/m0/s1
InChIKeyPRDMRVQXWYVPMR-IRXDYDNUSA-N
MW314.43 g/mol
LogP2.12
Rot. Bonds5

About 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile

1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile (PubChem CID 141144241) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile
PubChem CID141144241
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C[C@H]2CC[C@H](NCC(=O)n3cccc3)C2)CC1
InChIInChI=1S/C18H26N4O/c19-12-15-5-9-21(10-6-15)14-16-3-4-17(11-16)20-13-18(23)22-7-1-2-8-22/h1-2,7-8,15-17,20H,3-6,9-11,13-14H2/t16-,17-/m0/s1
InChIKeyPRDMRVQXWYVPMR-IRXDYDNUSA-N
XLogP2.12
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile with MolForge

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Related Compounds

(2S)-1-[2-[[(1R,3S)-3-(1,3-dihydroisoindol-2-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11588381
1-[(3-aminocyclopentyl)methyl]piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 18453467
1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile
CID 18453339
1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone
CID 141144239
molecular hydrogen;(2S)-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;hydrofluoride
CID 164588371
1-[2-[[3-(phenylsulfanylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 21109971
1-[[(3R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]imidazole-4,5-dicarbonitrile
CID 68830071
tert-butyl 4-[(4-cyanopiperidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 141128389
N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
CID 11667534
(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11623906
1-[[(1S,3R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]-3-phenylurea
CID 11717646
(2S)-1-[2-[[3-[(4,5-diisocyanoimidazol-1-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 58845501

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile (CID 141144241) is 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile is N#CC1CCN(C[C@H]2CC[C@H](NCC(=O)n3cccc3)C2)CC1.
What is the InChIKey of 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile?
The InChIKey is PRDMRVQXWYVPMR-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26N4O/c19-12-15-5-9-21(10-6-15)14-16-3-4-17(11-16)20-13-18(23)22-7-1-2-8-22/h1-2,7-8,15-17,20H,3-6,9-11,13-14H2/t16-,17-/m0/s1.
What are the key properties of 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile?
1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3S)-3-[(2-oxo-2-pyrrol-1-ylethyl)amino]cyclopentyl]methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 141144241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).