N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide

C14H20N2OS — CID 119315438

IUPACN-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
SMILESCSCc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-11-2-4-13(5-3-11)16-14(17)12-6-8-15-9-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyZAAWSEWXYOKTGH-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.49
Rot. Bonds4

About N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide

N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 119315438) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID119315438
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
SMILESCSCc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-11-2-4-13(5-3-11)16-14(17)12-6-8-15-9-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyZAAWSEWXYOKTGH-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
CID 173252213
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide (CID 119315438) is N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide is CSCc1ccc(NC(=O)C2CCNCC2)cc1.
What is the InChIKey of N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZAAWSEWXYOKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-10-11-2-4-13(5-3-11)16-14(17)12-6-8-15-9-7-12/h2-5,12,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide?
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119315438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).