1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide

C15H29N3O3S — CID 5123122

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NC(C)C)C2)CC1
InChIInChI=1S/C15H29N3O3S/c1-12(2)16-15(19)14-5-4-8-18(11-14)22(20,21)17-9-6-13(3)7-10-17/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyMGIWJUIKZDFSMO-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.20
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 5123122) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID5123122
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NC(C)C)C2)CC1
InChIInChI=1S/C15H29N3O3S/c1-12(2)16-15(19)14-5-4-8-18(11-14)22(20,21)17-9-6-13(3)7-10-17/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyMGIWJUIKZDFSMO-UHFFFAOYSA-N
XLogP1.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-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 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide (CID 5123122) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NC(C)C)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is MGIWJUIKZDFSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-12(2)16-15(19)14-5-4-8-18(11-14)22(20,21)17-9-6-13(3)7-10-17/h12-14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 5123122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).