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

C18H35N3O3S — CID 4144689

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC(C)C2)C1
InChIInChI=1S/C18H35N3O3S/c1-3-13-25(23,24)21-12-5-8-17(15-21)18(22)19-9-6-11-20-10-4-7-16(2)14-20/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyQQRKRZKEXSFCJS-UHFFFAOYSA-N
MW373.56 g/mol
LogP1.68
Rot. Bonds8

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

N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 4144689) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID4144689
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC(C)C2)C1
InChIInChI=1S/C18H35N3O3S/c1-3-13-25(23,24)21-12-5-8-17(15-21)18(22)19-9-6-11-20-10-4-7-16(2)14-20/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyQQRKRZKEXSFCJS-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 4144689) is N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC(C)C2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is QQRKRZKEXSFCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-3-13-25(23,24)21-12-5-8-17(15-21)18(22)19-9-6-11-20-10-4-7-16(2)14-20/h16-17H,3-15H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-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-(3-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4144689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).