4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide

C18H28N2O2S — CID 111437983

IUPAC4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(CSCCNC(=O)N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-14-3-5-16(6-4-14)13-23-12-9-19-18(22)20-10-7-17(8-11-20)15(2)21/h3-6,15,17,21H,7-13H2,1-2H3,(H,19,22)
InChIKeyHXNUBRYYTMJBLM-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.03
Rot. Bonds6

About 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide (PubChem CID 111437983) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
PubChem CID111437983
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(CSCCNC(=O)N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-14-3-5-16(6-4-14)13-23-12-9-19-18(22)20-10-7-17(8-11-20)15(2)21/h3-6,15,17,21H,7-13H2,1-2H3,(H,19,22)
InChIKeyHXNUBRYYTMJBLM-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.03
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

(3S)-3-[(1S)-1-hydroxyethyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
CID 97238079
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 78804949
4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 111438886
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633459
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438226
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 27990969
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 119271907

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide (CID 111437983) is 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide is Cc1ccc(CSCCNC(=O)N2CCC(C(C)O)CC2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide?
The InChIKey is HXNUBRYYTMJBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14-3-5-16(6-4-14)13-23-12-9-19-18(22)20-10-7-17(8-11-20)15(2)21/h3-6,15,17,21H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 111437983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).