4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide

C17H26N2O2S — CID 122559873

IUPAC4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
SMILESCCCSCCNC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2S/c1-2-13-22-14-10-18-16(20)19-11-8-17(21,9-12-19)15-6-4-3-5-7-15/h3-7,21H,2,8-14H2,1H3,(H,18,20)
InChIKeyYIBJMXALSVMXRC-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.82
Rot. Bonds6

About 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide

4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide (PubChem CID 122559873) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
PubChem CID122559873
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
SMILESCCCSCCNC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2S/c1-2-13-22-14-10-18-16(20)19-11-8-17(21,9-12-19)15-6-4-3-5-7-15/h3-7,21H,2,8-14H2,1H3,(H,18,20)
InChIKeyYIBJMXALSVMXRC-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
(3R)-3-[(4-hydroxy-4-phenylpiperidine-1-carbonyl)amino]-5-methylhexanoic acid
CID 126451892
4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 144925800
N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 72857286
methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306
4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 67415587
S-(2-methylanilino) 4-hydroxy-4-phenylpiperidine-1-carbothioate
CID 21152543

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide (CID 122559873) is 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide is CCCSCCNC(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide?
The InChIKey is YIBJMXALSVMXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-2-13-22-14-10-18-16(20)19-11-8-17(21,9-12-19)15-6-4-3-5-7-15/h3-7,21H,2,8-14H2,1H3,(H,18,20).
What are the key properties of 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide?
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122559873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).