(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide

C22H25FN2O2 — CID 95087648

IUPAC(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-16-6-3-8-18(12-16)20(26)25-11-5-10-22(2,15-25)21(27)24-14-17-7-4-9-19(23)13-17/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyHSBXTXDNAWNWKS-QFIPXVFZSA-N
MW368.45 g/mol
LogP3.69
Rot. Bonds4

About (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide

(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 95087648) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
PubChem CID95087648
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-16-6-3-8-18(12-16)20(26)25-11-5-10-22(2,15-25)21(27)24-14-17-7-4-9-19(23)13-17/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyHSBXTXDNAWNWKS-QFIPXVFZSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087652
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
(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
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
N-[(3-fluorophenyl)methyl]-3-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 53117562
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide (CID 95087648) is (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide is Cc1cccc(C(=O)N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)c1.
What is the InChIKey of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is HSBXTXDNAWNWKS-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-6-3-8-18(12-16)20(26)25-11-5-10-22(2,15-25)21(27)24-14-17-7-4-9-19(23)13-17/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 95087648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).