1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide

C19H38N4O3S — CID 60559721

IUPAC1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(CC)CC2)CC1
InChIInChI=1S/C19H38N4O3S/c1-3-5-17-27(25,26)23-11-7-18(8-12-23)19(24)20-9-6-10-22-15-13-21(4-2)14-16-22/h18H,3-17H2,1-2H3,(H,20,24)
InChIKeyDZZAYTJAWKNECH-UHFFFAOYSA-N
MW402.61 g/mol
LogP0.97
Rot. Bonds10

About 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 60559721) has the molecular formula C19H38N4O3S and a molecular weight of 402.61 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID60559721
Molecular FormulaC19H38N4O3S
Molecular Weight402.61 g/mol
Exact Mass402.27
IUPAC Name1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(CC)CC2)CC1
InChIInChI=1S/C19H38N4O3S/c1-3-5-17-27(25,26)23-11-7-18(8-12-23)19(24)20-9-6-10-22-15-13-21(4-2)14-16-22/h18H,3-17H2,1-2H3,(H,20,24)
InChIKeyDZZAYTJAWKNECH-UHFFFAOYSA-N
XLogP0.97
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
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-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide (CID 60559721) is 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(CC)CC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is DZZAYTJAWKNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O3S/c1-3-5-17-27(25,26)23-11-7-18(8-12-23)19(24)20-9-6-10-22-15-13-21(4-2)14-16-22/h18H,3-17H2,1-2H3,(H,20,24).
What are the key properties of 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 402.61 g/mol, XLogP of 0.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 60559721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).