2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide

C21H26N4O3 — CID 108548359

IUPAC2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)CC#N)CC2)CC1=O
InChIInChI=1S/C21H26N4O3/c1-15(16-5-3-2-4-6-16)25-14-17(13-20(25)27)21(28)24-11-8-18(9-12-24)23-19(26)7-10-22/h2-6,15,17-18H,7-9,11-14H2,1H3,(H,23,26)
InChIKeyJSYZDBWAIYOFMJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.62
Rot. Bonds5

About 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide

2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide (PubChem CID 108548359) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
PubChem CID108548359
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)CC#N)CC2)CC1=O
InChIInChI=1S/C21H26N4O3/c1-15(16-5-3-2-4-6-16)25-14-17(13-20(25)27)21(28)24-11-8-18(9-12-24)23-19(26)7-10-22/h2-6,15,17-18H,7-9,11-14H2,1H3,(H,23,26)
InChIKeyJSYZDBWAIYOFMJ-UHFFFAOYSA-N
XLogP1.62
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813
4-chloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]butanamide
CID 108564809
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
2,2,2-trifluoro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108548701
3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 108558288
2-chloroethyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564820
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119538330
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108923149
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide (CID 108548359) is 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide is CC(c1ccccc1)N1CC(C(=O)N2CCC(NC(=O)CC#N)CC2)CC1=O.
What is the InChIKey of 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is JSYZDBWAIYOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(16-5-3-2-4-6-16)25-14-17(13-20(25)27)21(28)24-11-8-18(9-12-24)23-19(26)7-10-22/h2-6,15,17-18H,7-9,11-14H2,1H3,(H,23,26).
What are the key properties of 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide?
2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108548359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).