1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide

C15H27N3O4S — CID 652038

IUPAC1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1
InChIInChI=1S/C15H27N3O4S/c1-23(21,22)18(13-5-3-2-4-6-13)11-14(19)17-9-7-12(8-10-17)15(16)20/h12-13H,2-11H2,1H3,(H2,16,20)
InChIKeyGALBUMNBHBGGJG-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.30
Rot. Bonds5

About 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide

1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 652038) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID652038
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1
InChIInChI=1S/C15H27N3O4S/c1-23(21,22)18(13-5-3-2-4-6-13)11-14(19)17-9-7-12(8-10-17)15(16)20/h12-13H,2-11H2,1H3,(H2,16,20)
InChIKeyGALBUMNBHBGGJG-UHFFFAOYSA-N
XLogP0.30
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide (CID 652038) is 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide is CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is GALBUMNBHBGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-23(21,22)18(13-5-3-2-4-6-13)11-14(19)17-9-7-12(8-10-17)15(16)20/h12-13H,2-11H2,1H3,(H2,16,20).
What are the key properties of 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide?
1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 652038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).