2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide

C18H26N2O3S — CID 91762949

IUPAC2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide
SMILESCSCCC(O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-24-12-9-16(21)17(22)19-13-14-5-7-15(8-6-14)18(23)20-10-3-2-4-11-20/h5-8,16,21H,2-4,9-13H2,1H3,(H,19,22)
InChIKeyBJXWUKDVMWHJFB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.04
Rot. Bonds7

About 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide

2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide (PubChem CID 91762949) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide
PubChem CID91762949
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide
SMILESCSCCC(O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-24-12-9-16(21)17(22)19-13-14-5-7-15(8-6-14)18(23)20-10-3-2-4-11-20/h5-8,16,21H,2-4,9-13H2,1H3,(H,19,22)
InChIKeyBJXWUKDVMWHJFB-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide;hydrochloride
CID 119274105
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-methyl-1-(4-methylsulfanylbutyl)-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111626697
2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 18119539
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043470
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
1,2-dimethyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110918753
(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 125167077

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide?
The IUPAC name of 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide (CID 91762949) is 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide is CSCCC(O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide?
The InChIKey is BJXWUKDVMWHJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-24-12-9-16(21)17(22)19-13-14-5-7-15(8-6-14)18(23)20-10-3-2-4-11-20/h5-8,16,21H,2-4,9-13H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide?
2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide has a molecular weight of 350.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide is sourced from PubChem (CID 91762949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).