1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide

C18H33N3O4S — CID 47088084

IUPAC1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C18H33N3O4S/c1-4-6-14(2)19-17(22)16-7-5-10-20(13-16)18(23)15-8-11-21(12-9-15)26(3,24)25/h14-16H,4-13H2,1-3H3,(H,19,22)
InChIKeyRNIRSPZCTJGTHK-UHFFFAOYSA-N
MW387.55 g/mol
LogP1.20
Rot. Bonds6

About 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 47088084) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID47088084
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC Name1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C18H33N3O4S/c1-4-6-14(2)19-17(22)16-7-5-10-20(13-16)18(23)15-8-11-21(12-9-15)26(3,24)25/h14-16H,4-13H2,1-3H3,(H,19,22)
InChIKeyRNIRSPZCTJGTHK-UHFFFAOYSA-N
XLogP1.20
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 47088084) is 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is RNIRSPZCTJGTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-4-6-14(2)19-17(22)16-7-5-10-20(13-16)18(23)15-8-11-21(12-9-15)26(3,24)25/h14-16H,4-13H2,1-3H3,(H,19,22).
What are the key properties of 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidine-4-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 47088084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).