N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide

C17H23N3O2 — CID 119285120

IUPACN-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2=O)cc1)C1CCNCC1
InChIInChI=1S/C17H23N3O2/c21-16-2-1-11-20(16)12-13-3-5-15(6-4-13)19-17(22)14-7-9-18-10-8-14/h3-6,14,18H,1-2,7-12H2,(H,19,22)
InChIKeyIISRQFNOGQYPOM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.75
Rot. Bonds4

About N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide

N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 119285120) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
PubChem CID119285120
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2=O)cc1)C1CCNCC1
InChIInChI=1S/C17H23N3O2/c21-16-2-1-11-20(16)12-13-3-5-15(6-4-13)19-17(22)14-7-9-18-10-8-14/h3-6,14,18H,1-2,7-12H2,(H,19,22)
InChIKeyIISRQFNOGQYPOM-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119307604
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide
CID 170737594
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide (CID 119285120) is N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(CN2CCCC2=O)cc1)C1CCNCC1.
What is the InChIKey of N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is IISRQFNOGQYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-2-1-11-20(16)12-13-3-5-15(6-4-13)19-17(22)14-7-9-18-10-8-14/h3-6,14,18H,1-2,7-12H2,(H,19,22).
What are the key properties of N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide?
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119285120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).