N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C17H23N3O3 — CID 119290092

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCNC2)cc1N1CCCC1=O
InChIInChI=1S/C17H23N3O3/c1-23-15-7-6-13(10-14(15)20-9-3-5-16(20)21)19-17(22)12-4-2-8-18-11-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3,(H,19,22)
InChIKeyQECBXNMWJVYCTR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.76
Rot. Bonds4

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 119290092) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID119290092
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCNC2)cc1N1CCCC1=O
InChIInChI=1S/C17H23N3O3/c1-23-15-7-6-13(10-14(15)20-9-3-5-16(20)21)19-17(22)12-4-2-8-18-11-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3,(H,19,22)
InChIKeyQECBXNMWJVYCTR-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119290026
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119290061
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119724590
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(1R,2R,3S,4R)-3-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124817922
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 119290092) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCNC2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is QECBXNMWJVYCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-7-6-13(10-14(15)20-9-3-5-16(20)21)19-17(22)12-4-2-8-18-11-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3,(H,19,22).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119290092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).