N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide

C21H30N2O2S — CID 108554734

IUPACN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESO=C(NC1CCN(C(=O)CCC2CCCCC2)CC1)c1ccccc1S
InChIInChI=1S/C21H30N2O2S/c24-20(11-10-16-6-2-1-3-7-16)23-14-12-17(13-15-23)22-21(25)18-8-4-5-9-19(18)26/h4-5,8-9,16-17,26H,1-3,6-7,10-15H2,(H,22,25)
InChIKeyOAJUFTGERRXAKU-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.06
Rot. Bonds5

About N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554734) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554734
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
SMILESO=C(NC1CCN(C(=O)CCC2CCCCC2)CC1)c1ccccc1S
InChIInChI=1S/C21H30N2O2S/c24-20(11-10-16-6-2-1-3-7-16)23-14-12-17(13-15-23)22-21(25)18-8-4-5-9-19(18)26/h4-5,8-9,16-17,26H,1-3,6-7,10-15H2,(H,22,25)
InChIKeyOAJUFTGERRXAKU-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
CID 108555684

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide (CID 108554734) is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide is O=C(NC1CCN(C(=O)CCC2CCCCC2)CC1)c1ccccc1S.
What is the InChIKey of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is OAJUFTGERRXAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c24-20(11-10-16-6-2-1-3-7-16)23-14-12-17(13-15-23)22-21(25)18-8-4-5-9-19(18)26/h4-5,8-9,16-17,26H,1-3,6-7,10-15H2,(H,22,25).
What are the key properties of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 374.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).