N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide

C18H35N3O3S — CID 4531205

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C18H35N3O3S/c1-3-15-25(23,24)21-13-7-17(8-14-21)18(22)19-9-4-10-20-11-5-16(2)6-12-20/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyXQTAEJPWDTZQBY-UHFFFAOYSA-N
MW373.56 g/mol
LogP1.68
Rot. Bonds8

About N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 4531205) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID4531205
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C18H35N3O3S/c1-3-15-25(23,24)21-13-7-17(8-14-21)18(22)19-9-4-10-20-11-5-16(2)6-12-20/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyXQTAEJPWDTZQBY-UHFFFAOYSA-N
XLogP1.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 51.68
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

1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 92682266
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 4531205) is N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is XQTAEJPWDTZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-3-15-25(23,24)21-13-7-17(8-14-21)18(22)19-9-4-10-20-11-5-16(2)6-12-20/h16-17H,3-15H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 373.56 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4531205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).