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

C18H25N3O3 — CID 119290026

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2)cc1N1CCCCC1=O
InChIInChI=1S/C18H25N3O3/c1-24-16-9-8-13(20-18(23)14-6-2-4-10-19-14)12-15(16)21-11-5-3-7-17(21)22/h8-9,12,14,19H,2-7,10-11H2,1H3,(H,20,23)
InChIKeyCMINBOHAOCTDSC-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.29
Rot. Bonds4

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

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 119290026) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID119290026
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2)cc1N1CCCCC1=O
InChIInChI=1S/C18H25N3O3/c1-24-16-9-8-13(20-18(23)14-6-2-4-10-19-14)12-15(16)21-11-5-3-7-17(21)22/h8-9,12,14,19H,2-7,10-11H2,1H3,(H,20,23)
InChIKeyCMINBOHAOCTDSC-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119290061
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 119290092
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide (CID 119290026) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide is COc1ccc(NC(=O)C2CCCCN2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is CMINBOHAOCTDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-9-8-13(20-18(23)14-6-2-4-10-19-14)12-15(16)21-11-5-3-7-17(21)22/h8-9,12,14,19H,2-7,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.29, 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-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119290026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).