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

C16H32N4O3S — CID 119446203

IUPAC1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C16H32N4O3S/c1-2-3-14-24(22,23)20-9-4-15(5-10-20)16(21)18-8-13-19-11-6-17-7-12-19/h15,17H,2-14H2,1H3,(H,18,21)
InChIKeyMWJMDCGJALZGIP-UHFFFAOYSA-N
MW360.52 g/mol
LogP-0.15
Rot. Bonds8

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

1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 119446203) has the molecular formula C16H32N4O3S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
PubChem CID119446203
Molecular FormulaC16H32N4O3S
Molecular Weight360.52 g/mol
Exact Mass360.22
IUPAC Name1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C16H32N4O3S/c1-2-3-14-24(22,23)20-9-4-15(5-10-20)16(21)18-8-13-19-11-6-17-7-12-19/h15,17H,2-14H2,1H3,(H,18,21)
InChIKeyMWJMDCGJALZGIP-UHFFFAOYSA-N
XLogP-0.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
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
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
CID 119461322
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
1-butylsulfonylpiperazine
CID 16769079
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide (CID 119446203) is 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCCN2CCNCC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is MWJMDCGJALZGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S/c1-2-3-14-24(22,23)20-9-4-15(5-10-20)16(21)18-8-13-19-11-6-17-7-12-19/h15,17H,2-14H2,1H3,(H,18,21).
What are the key properties of 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 360.52 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119446203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).