N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride

C16H25ClN2OS — CID 119315518

IUPACN-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(2,3)20-14-8-6-13(7-9-14)18-15(19)12-5-4-10-17-11-12;/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19);1H
InChIKeyATZXYVGMVFDXMI-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.94
Rot. Bonds3

About N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride

N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119315518) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119315518
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(2,3)20-14-8-6-13(7-9-14)18-15(19)12-5-4-10-17-11-12;/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19);1H
InChIKeyATZXYVGMVFDXMI-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673419
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
CID 81118211

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride (CID 119315518) is N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride is CC(C)(C)Sc1ccc(NC(=O)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ATZXYVGMVFDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-16(2,3)20-14-8-6-13(7-9-14)18-15(19)12-5-4-10-17-11-12;/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride?
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119315518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).