1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide

C23H29N3O3 — CID 45220426

IUPAC1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCCCCc2ccccn2)CCC1=O
InChIInChI=1S/C23H29N3O3/c1-29-21-11-3-2-8-18(21)16-26-17-19(12-13-22(26)27)23(28)25-15-7-5-10-20-9-4-6-14-24-20/h2-4,6,8-9,11,14,19H,5,7,10,12-13,15-17H2,1H3,(H,25,28)
InChIKeyXBVQAKOWPHXBKG-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.97
Rot. Bonds9

About 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide (PubChem CID 45220426) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
PubChem CID45220426
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCCCCc2ccccn2)CCC1=O
InChIInChI=1S/C23H29N3O3/c1-29-21-11-3-2-8-18(21)16-26-17-19(12-13-22(26)27)23(28)25-15-7-5-10-20-9-4-6-14-24-20/h2-4,6,8-9,11,14,19H,5,7,10,12-13,15-17H2,1H3,(H,25,28)
InChIKeyXBVQAKOWPHXBKG-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507
(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 26404499
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183926
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
1-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793824

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide (CID 45220426) is 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCCCCc2ccccn2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
The InChIKey is XBVQAKOWPHXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-11-3-2-8-18(21)16-26-17-19(12-13-22(26)27)23(28)25-15-7-5-10-20-9-4-6-14-24-20/h2-4,6,8-9,11,14,19H,5,7,10,12-13,15-17H2,1H3,(H,25,28).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 45220426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).