(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone

C17H30N2OS — CID 170397887

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
SMILESO=C(C1CCC(S)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H30N2OS/c20-17(14-4-6-16(21)7-5-14)19-12-8-15(9-13-19)18-10-2-1-3-11-18/h14-16,21H,1-13H2
InChIKeyDOGZQUHWVXFJGS-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.95
Rot. Bonds2

About (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone

(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone (PubChem CID 170397887) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
PubChem CID170397887
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
SMILESO=C(C1CCC(S)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H30N2OS/c20-17(14-4-6-16(21)7-5-14)19-12-8-15(9-13-19)18-10-2-1-3-11-18/h14-16,21H,1-13H2
InChIKeyDOGZQUHWVXFJGS-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
CID 131939794
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 26405433
1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
CID 70308947
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone (CID 170397887) is (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone is O=C(C1CCC(S)CC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone?
The InChIKey is DOGZQUHWVXFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c20-17(14-4-6-16(21)7-5-14)19-12-8-15(9-13-19)18-10-2-1-3-11-18/h14-16,21H,1-13H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone?
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone has a molecular weight of 310.51 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone is sourced from PubChem (CID 170397887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).