3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide

C14H27N3O3S — CID 47766211

IUPAC3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)NC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C14H27N3O3S/c1-3-12-6-4-8-16(10-12)14(18)15-13-7-5-9-17(11-13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyJHCCVRUFUKSXPV-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.24
Rot. Bonds3

About 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide

3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide (PubChem CID 47766211) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
PubChem CID47766211
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)NC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C14H27N3O3S/c1-3-12-6-4-8-16(10-12)14(18)15-13-7-5-9-17(11-13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyJHCCVRUFUKSXPV-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47765772
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
N-(1-methylsulfonylpiperidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 47766348
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-cyclohexyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 47766349
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
CID 47765427
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide (CID 47766211) is 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide is CCC1CCCN(C(=O)NC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide?
The InChIKey is JHCCVRUFUKSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-12-6-4-8-16(10-12)14(18)15-13-7-5-9-17(11-13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide?
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47766211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).