N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide

C17H26N2OS — CID 124575017

IUPACN-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide
SMILESCS[C@@H](C)CCNC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H26N2OS/c1-14(21-2)8-11-19-16(20)17(9-12-18-13-10-17)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyHMCOPBDMMQCDQI-AWEZNQCLSA-N
MW306.48 g/mol
LogP2.57
Rot. Bonds6

About N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide

N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 124575017) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide
PubChem CID124575017
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide
SMILESCS[C@@H](C)CCNC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H26N2OS/c1-14(21-2)8-11-19-16(20)17(9-12-18-13-10-17)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyHMCOPBDMMQCDQI-AWEZNQCLSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
CID 115597355
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide
CID 63129508
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide (CID 124575017) is N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide is CS[C@@H](C)CCNC(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is HMCOPBDMMQCDQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-14(21-2)8-11-19-16(20)17(9-12-18-13-10-17)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide?
N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 306.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 124575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).