1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide

C21H24N2O3 — CID 134802123

IUPAC1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3OC)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-22-20(24)16-11-13-23(14-12-16)21(25)17-9-7-15(8-10-17)18-5-3-4-6-19(18)26-2/h3-10,16H,11-14H2,1-2H3,(H,22,24)
InChIKeyLZCYTMXHKFBWCA-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide

1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 134802123) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
PubChem CID134802123
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3OC)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-22-20(24)16-11-13-23(14-12-16)21(25)17-9-7-15(8-10-17)18-5-3-4-6-19(18)26-2/h3-10,16H,11-14H2,1-2H3,(H,22,24)
InChIKeyLZCYTMXHKFBWCA-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
CID 134803596
N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 47021153
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38645004
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide (CID 134802123) is 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3OC)cc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LZCYTMXHKFBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22-20(24)16-11-13-23(14-12-16)21(25)17-9-7-15(8-10-17)18-5-3-4-6-19(18)26-2/h3-10,16H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide?
1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134802123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).