(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide

C22H25FN2O2 — CID 95087574

IUPAC(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O2/c1-22(21(27)24-15-18-6-3-2-4-7-18)12-5-13-25(16-22)20(26)14-17-8-10-19(23)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)/t22-/m1/s1
InChIKeyQRAFBFYHXGWHRJ-JOCHJYFZSA-N
MW368.45 g/mol
LogP3.31
Rot. Bonds5

About (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide

(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide (PubChem CID 95087574) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
PubChem CID95087574
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O2/c1-22(21(27)24-15-18-6-3-2-4-7-18)12-5-13-25(16-22)20(26)14-17-8-10-19(23)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)/t22-/m1/s1
InChIKeyQRAFBFYHXGWHRJ-JOCHJYFZSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087413
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087652
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 93071245
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide (CID 95087574) is (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide is C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is QRAFBFYHXGWHRJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-22(21(27)24-15-18-6-3-2-4-7-18)12-5-13-25(16-22)20(26)14-17-8-10-19(23)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide?
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95087574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).