(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C22H27FN2O — CID 93492077

IUPAC(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H27FN2O/c1-3-18-7-4-6-16(2)21(18)24-22(26)19-8-5-13-25(15-19)14-17-9-11-20(23)12-10-17/h4,6-7,9-12,19H,3,5,8,13-15H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyYPZRMCOTCHJECI-LJQANCHMSA-N
MW354.47 g/mol
LogP4.55
Rot. Bonds5

About (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 93492077) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID93492077
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H27FN2O/c1-3-18-7-4-6-16(2)21(18)24-22(26)19-8-5-13-25(15-19)14-17-9-11-20(23)12-10-17/h4,6-7,9-12,19H,3,5,8,13-15H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyYPZRMCOTCHJECI-LJQANCHMSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
methyl 3-[[(3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 93492164
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
ethyl 3-[[1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 46774412
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 93492077) is (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YPZRMCOTCHJECI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-3-18-7-4-6-16(2)21(18)24-22(26)19-8-5-13-25(15-19)14-17-9-11-20(23)12-10-17/h4,6-7,9-12,19H,3,5,8,13-15H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 93492077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).