N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide

C22H25FN2O3 — CID 53117113

IUPACN-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C)(C(=O)NCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H25FN2O3/c1-22(21(27)24-14-16-4-8-18(23)9-5-16)12-3-13-25(15-22)20(26)17-6-10-19(28-2)11-7-17/h4-11H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyNYTZNMQQOJXMDU-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.39
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide (PubChem CID 53117113) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
PubChem CID53117113
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C)(C(=O)NCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H25FN2O3/c1-22(21(27)24-14-16-4-8-18(23)9-5-16)12-3-13-25(15-22)20(26)17-6-10-19(28-2)11-7-17/h4-11H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyNYTZNMQQOJXMDU-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087327
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
(3S)-1-(2-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087341
(3S)-1-(2-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087303
1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087326

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide (CID 53117113) is N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide is COc1ccc(C(=O)N2CCCC(C)(C(=O)NCc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is NYTZNMQQOJXMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-22(21(27)24-14-16-4-8-18(23)9-5-16)12-3-13-25(15-22)20(26)17-6-10-19(28-2)11-7-17/h4-11H,3,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 53117113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).