N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide

C23H27FN2O2S — CID 86935077

IUPACN-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
SMILESCC(CSc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O2S/c1-17(16-29-21-5-3-2-4-6-21)23(28)26-13-11-19(12-14-26)22(27)25-15-18-7-9-20(24)10-8-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)
InChIKeyYXLFPTWDJIXDCP-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.11
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide (PubChem CID 86935077) has the molecular formula C23H27FN2O2S and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
PubChem CID86935077
Molecular FormulaC23H27FN2O2S
Molecular Weight414.55 g/mol
Exact Mass414.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
SMILESCC(CSc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O2S/c1-17(16-29-21-5-3-2-4-6-21)23(28)26-13-11-19(12-14-26)22(27)25-15-18-7-9-20(24)10-8-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)
InChIKeyYXLFPTWDJIXDCP-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one;hydrochloride
CID 119410247
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide (CID 86935077) is N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide is CC(CSc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The InChIKey is YXLFPTWDJIXDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2S/c1-17(16-29-21-5-3-2-4-6-21)23(28)26-13-11-19(12-14-26)22(27)25-15-18-7-9-20(24)10-8-18/h2-10,17,19H,11-16H2,1H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.11, 7 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-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 86935077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).