N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

C21H40N4O3S — CID 22552992

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCC1CCCC(C)N1CCCNC(=O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C21H40N4O3S/c1-18-9-6-10-19(2)25(18)16-8-12-22-21(26)20-11-7-15-24(17-20)29(27,28)23-13-4-3-5-14-23/h18-20H,3-17H2,1-2H3,(H,22,26)
InChIKeyVHJFNQGJAJWSQF-UHFFFAOYSA-N
MW428.64 g/mol
LogP2.20
Rot. Bonds7

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552992) has the molecular formula C21H40N4O3S and a molecular weight of 428.64 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552992
Molecular FormulaC21H40N4O3S
Molecular Weight428.64 g/mol
Exact Mass428.28
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCC1CCCC(C)N1CCCNC(=O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C21H40N4O3S/c1-18-9-6-10-19(2)25(18)16-8-12-22-21(26)20-11-7-15-24(17-20)29(27,28)23-13-4-3-5-14-23/h18-20H,3-17H2,1-2H3,(H,22,26)
InChIKeyVHJFNQGJAJWSQF-UHFFFAOYSA-N
XLogP2.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 22552992) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is CC1CCCC(C)N1CCCNC(=O)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VHJFNQGJAJWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3S/c1-18-9-6-10-19(2)25(18)16-8-12-22-21(26)20-11-7-15-24(17-20)29(27,28)23-13-4-3-5-14-23/h18-20H,3-17H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 428.64 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).