N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

C16H29N3O4S — CID 32583942

IUPACN-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H29N3O4S/c1-12(2)16(21)18-8-6-14(7-9-18)17-15(20)13-4-10-19(11-5-13)24(3,22)23/h12-14H,4-11H2,1-3H3,(H,17,20)
InChIKeyKDYPLFODPVZLTB-UHFFFAOYSA-N
MW359.49 g/mol
LogP0.42
Rot. Bonds4

About N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 32583942) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID32583942
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C16H29N3O4S/c1-12(2)16(21)18-8-6-14(7-9-18)17-15(20)13-4-10-19(11-5-13)24(3,22)23/h12-14H,4-11H2,1-3H3,(H,17,20)
InChIKeyKDYPLFODPVZLTB-UHFFFAOYSA-N
XLogP0.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
N-cyclopentyl-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235968
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-[3-(Dipropylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 16034200
N-{3-[Butyl(methyl)amino]propyl}-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 16034251
N-cyclopentyl-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 5240507
N-[3-(diethylamino)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 4087817
N-{3-[Butyl(methyl)amino]propyl}-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 16034201
Methyl 4-((1-(methylsulfonyl)piperidine-4-carboxamido)methyl)piperidine-1-carboxylate
CID 49688845
N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 71897278
1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 3152846

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 32583942) is N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is CC(C)C(=O)N1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is KDYPLFODPVZLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-12(2)16(21)18-8-6-14(7-9-18)17-15(20)13-4-10-19(11-5-13)24(3,22)23/h12-14H,4-11H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 32583942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).