(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide

C21H24N2O2S — CID 95709749

IUPAC(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c1-26-20-12-6-5-11-18(20)22-21(25)23-13-7-10-17(15-23)19(24)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyXKXMOEYVAXQKSO-QGZVFWFLSA-N
MW368.50 g/mol
LogP4.46
Rot. Bonds5

About (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide

(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide (PubChem CID 95709749) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
PubChem CID95709749
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c1-26-20-12-6-5-11-18(20)22-21(25)23-13-7-10-17(15-23)19(24)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyXKXMOEYVAXQKSO-QGZVFWFLSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42363244
1-[(5-chloro-2-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122077985
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
(2R)-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107642300
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide (CID 95709749) is (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide is CSc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1.
What is the InChIKey of (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide?
The InChIKey is XKXMOEYVAXQKSO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-26-20-12-6-5-11-18(20)22-21(25)23-13-7-10-17(15-23)19(24)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide?
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide is sourced from PubChem (CID 95709749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).