1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide

C20H39N3O3S — CID 55980877

IUPAC1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C20H39N3O3S/c1-3-4-17-27(25,26)23-15-9-19(10-16-23)20(24)21-11-5-6-12-22-13-7-18(2)8-14-22/h18-19H,3-17H2,1-2H3,(H,21,24)
InChIKeyNBAYQWHXASGOTR-UHFFFAOYSA-N
MW401.62 g/mol
LogP2.46
Rot. Bonds10

About 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide (PubChem CID 55980877) has the molecular formula C20H39N3O3S and a molecular weight of 401.62 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
PubChem CID55980877
Molecular FormulaC20H39N3O3S
Molecular Weight401.62 g/mol
Exact Mass401.27
IUPAC Name1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C20H39N3O3S/c1-3-4-17-27(25,26)23-15-9-19(10-16-23)20(24)21-11-5-6-12-22-13-7-18(2)8-14-22/h18-19H,3-17H2,1-2H3,(H,21,24)
InChIKeyNBAYQWHXASGOTR-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 92682266
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide (CID 55980877) is 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCCCCN2CCC(C)CC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The InChIKey is NBAYQWHXASGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O3S/c1-3-4-17-27(25,26)23-15-9-19(10-16-23)20(24)21-11-5-6-12-22-13-7-18(2)8-14-22/h18-19H,3-17H2,1-2H3,(H,21,24).
What are the key properties of 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide has a molecular weight of 401.62 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 55980877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).