N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide

C19H29ClN2OS — CID 43922745

IUPACN-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)SCCNC(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H29ClN2OS/c1-19(2,3)24-11-9-21-18(23)16-7-5-10-22(14-16)13-15-6-4-8-17(20)12-15/h4,6,8,12,16H,5,7,9-11,13-14H2,1-3H3,(H,21,23)
InChIKeySBERYRGMFQNCSF-UHFFFAOYSA-N
MW368.97 g/mol
LogP4.20
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide

N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43922745) has the molecular formula C19H29ClN2OS and a molecular weight of 368.97 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43922745
Molecular FormulaC19H29ClN2OS
Molecular Weight368.97 g/mol
Exact Mass368.17
IUPAC NameN-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)SCCNC(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H29ClN2OS/c1-19(2,3)24-11-9-21-18(23)16-7-5-10-22(14-16)13-15-6-4-8-17(20)12-15/h4,6,8,12,16H,5,7,9-11,13-14H2,1-3H3,(H,21,23)
InChIKeySBERYRGMFQNCSF-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-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

1-[(3-chlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43920667
(3S)-N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641778
N-(2-tert-butylsulfanylethyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934172
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-3-carboxamide
CID 43922924
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756
1-[(4-chlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920628
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
N-(2-tert-butylsulfanylethyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930412

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43922745) is N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide is CC(C)(C)SCCNC(=O)C1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SBERYRGMFQNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2OS/c1-19(2,3)24-11-9-21-18(23)16-7-5-10-22(14-16)13-15-6-4-8-17(20)12-15/h4,6,8,12,16H,5,7,9-11,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide?
N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 368.97 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43922745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).