(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide

C21H23FN2O2 — CID 95087628

IUPAC(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C21H23FN2O2/c1-21(20(26)23-14-16-7-3-2-4-8-16)11-6-12-24(15-21)19(25)17-9-5-10-18(22)13-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyWHJSNBWVVXITBI-OAQYLSRUSA-N
MW354.43 g/mol
LogP3.38
Rot. Bonds4

About (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide

(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide (PubChem CID 95087628) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
PubChem CID95087628
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C21H23FN2O2/c1-21(20(26)23-14-16-7-3-2-4-8-16)11-6-12-24(15-21)19(25)17-9-5-10-18(22)13-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyWHJSNBWVVXITBI-OAQYLSRUSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
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)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087666
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide (CID 95087628) is (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide is C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is WHJSNBWVVXITBI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-21(20(26)23-14-16-7-3-2-4-8-16)11-6-12-24(15-21)19(25)17-9-5-10-18(22)13-17/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide?
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95087628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).