1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C16H31N3O4S — CID 113003547

IUPAC1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O4S/c1-2-3-14-24(21,22)19-7-4-15(5-8-19)16(20)17-6-9-18-10-12-23-13-11-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyXZTCFWFUSCCLRP-UHFFFAOYSA-N
MW361.51 g/mol
LogP0.28
Rot. Bonds8

About 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 113003547) has the molecular formula C16H31N3O4S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID113003547
Molecular FormulaC16H31N3O4S
Molecular Weight361.51 g/mol
Exact Mass361.20
IUPAC Name1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O4S/c1-2-3-14-24(21,22)19-7-4-15(5-8-19)16(20)17-6-9-18-10-12-23-13-11-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyXZTCFWFUSCCLRP-UHFFFAOYSA-N
XLogP0.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
1-butylsulfonyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 55899817
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 113003547) is 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is XZTCFWFUSCCLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4S/c1-2-3-14-24(21,22)19-7-4-15(5-8-19)16(20)17-6-9-18-10-12-23-13-11-18/h15H,2-14H2,1H3,(H,17,20).
What are the key properties of 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).