N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide

C20H39N3O3S — CID 56535439

IUPACN-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCCCN(C(=O)C1CCCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H39N3O3S/c1-7-8-12-23(17-13-19(2,3)21-20(4,5)14-17)18(24)16-10-9-11-22(15-16)27(6,25)26/h16-17,21H,7-15H2,1-6H3
InChIKeyUDHPSTBKZMSPJQ-UHFFFAOYSA-N
MW401.62 g/mol
LogP2.60
Rot. Bonds6

About N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide

N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 56535439) has the molecular formula C20H39N3O3S and a molecular weight of 401.62 g/mol. Its IUPAC name is N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID56535439
Molecular FormulaC20H39N3O3S
Molecular Weight401.62 g/mol
Exact Mass401.27
IUPAC NameN-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCCCN(C(=O)C1CCCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H39N3O3S/c1-7-8-12-23(17-13-19(2,3)21-20(4,5)14-17)18(24)16-10-9-11-22(15-16)27(6,25)26/h16-17,21H,7-15H2,1-6H3
InChIKeyUDHPSTBKZMSPJQ-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62827234
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 134003179
methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 61242477
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 70702941
ethyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)-pentylamino]-1,3-thiazole-5-carboxylate
CID 55555931
1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
CID 55613299
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide (CID 56535439) is N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide is CCCCN(C(=O)C1CCCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UDHPSTBKZMSPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O3S/c1-7-8-12-23(17-13-19(2,3)21-20(4,5)14-17)18(24)16-10-9-11-22(15-16)27(6,25)26/h16-17,21H,7-15H2,1-6H3.
What are the key properties of N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide?
N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 401.62 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56535439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).