4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide

C11H22N2O2 — CID 107218997

IUPAC4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)CO)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-3-11(4-6-12-7-5-11)10(15)13-9(2)8-14/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyXKCSSJOPPWBHOK-VIFPVBQESA-N
MW214.31 g/mol
LogP0.26
Rot. Bonds4

About 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide

4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide (PubChem CID 107218997) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
PubChem CID107218997
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
SMILESCCC1(C(=O)N[C@@H](C)CO)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-3-11(4-6-12-7-5-11)10(15)13-9(2)8-14/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyXKCSSJOPPWBHOK-VIFPVBQESA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
4-ethyl-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
CID 64642235
4-ethyl-N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63843351
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
N-[(1S)-1-cyclopentylethyl]-4-ethylpiperidine-4-carboxamide
CID 81390475
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
4-ethyl-N-octan-4-ylpiperidine-4-carboxamide
CID 106025848
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide (CID 107218997) is 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide is CCC1(C(=O)N[C@@H](C)CO)CCNCC1.
What is the InChIKey of 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
The InChIKey is XKCSSJOPPWBHOK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(4-6-12-7-5-11)10(15)13-9(2)8-14/h9,12,14H,3-8H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide?
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 107218997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).