4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide

C12H24N2O3S — CID 64642235

IUPAC4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)CS(C)(=O)=O)CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-4-12(5-7-13-8-6-12)11(15)14-10(2)9-18(3,16)17/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyQLKZZLUXAIYHHA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.32
Rot. Bonds5

About 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide

4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 64642235) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
PubChem CID64642235
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)CS(C)(=O)=O)CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-4-12(5-7-13-8-6-12)11(15)14-10(2)9-18(3,16)17/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyQLKZZLUXAIYHHA-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823
4-ethyl-N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63843351
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
N-[(1S)-1-cyclopentylethyl]-4-ethylpiperidine-4-carboxamide
CID 81390475
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
4-ethyl-N-octan-4-ylpiperidine-4-carboxamide
CID 106025848
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide (CID 64642235) is 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide is CCC1(C(=O)NC(C)CS(C)(=O)=O)CCNCC1.
What is the InChIKey of 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is QLKZZLUXAIYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-12(5-7-13-8-6-12)11(15)14-10(2)9-18(3,16)17/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 64642235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).