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

C12H24N2O2 — CID 114428056

IUPAC4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(CC)CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-9-5-6-13-11(7-9)12(16)14-10(4-2)8-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyXKMWPMRDGOVRBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds5

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

4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide (PubChem CID 114428056) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
PubChem CID114428056
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(CC)CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-9-5-6-13-11(7-9)12(16)14-10(4-2)8-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyXKMWPMRDGOVRBI-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57396597
1-(Hydroxymethyl)-3,6-diisobutylpiperazine-2,5-dione
CID 245173
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515582
(3S,6S)-3-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 57403608
(2S,4R)-N-(1,3-dihydroxypropan-2-yl)-4-undecylpiperidine-2-carboxamide
CID 91933934
(2S,4R)-N-(2-hydroxyethyl)-4-undecylpiperidine-2-carboxamide
CID 155525833
(2S,4R)-N-[(2S,3S)-1,3-dihydroxybutan-2-yl]-4-undecylpiperidine-2-carboxamide
CID 155533720
(2S,4R)-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-4-undecylpiperidine-2-carboxamide
CID 155552033
(2S,4R)-4-(2-cyclohexylethyl)-N-(1,3-dihydroxypropan-2-yl)piperidine-2-carboxamide
CID 156019391
(2S,4R)-4-cyclohexyl-N-(1,3-dihydroxypropan-2-yl)piperidine-2-carboxamide
CID 156021081
Cyclo-(Ile-Ser)
CID 130994208

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide (CID 114428056) is 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide is CCC1CCNC(C(=O)NC(CC)CO)C1.
What is the InChIKey of 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide?
The InChIKey is XKMWPMRDGOVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-5-6-13-11(7-9)12(16)14-10(4-2)8-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide?
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 114428056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).