1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one

C14H28N2O2 — CID 114152228

IUPAC1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(CCCC(C)CO)C1=O
InChIInChI=1S/C14H28N2O2/c1-3-8-15-13-7-5-10-16(14(13)18)9-4-6-12(2)11-17/h12-13,15,17H,3-11H2,1-2H3
InChIKeyCXYBGNPAHTZLOL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds8

About 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one

1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one (PubChem CID 114152228) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
PubChem CID114152228
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(CCCC(C)CO)C1=O
InChIInChI=1S/C14H28N2O2/c1-3-8-15-13-7-5-10-16(14(13)18)9-4-6-12(2)11-17/h12-13,15,17H,3-11H2,1-2H3
InChIKeyCXYBGNPAHTZLOL-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Cyclo-(L-Leu-N-ethyl-L-Glu)
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1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide
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CID 75427144
(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one
CID 136582448
N-[(3S)-1-hydroxy-4-methylpentan-3-yl]-2-methyl-2-piperidin-1-ylpropanamide
CID 164641472
(3S,6S)-3-[(2S)-4-hydroxybutan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 175665091
(3S,6S)-3-[(2S)-4-hydroxybutan-2-yl]-6-(2-hydroxy-2-methylpropyl)piperazine-2,5-dione
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CID 133188424

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one (CID 114152228) is 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(CCCC(C)CO)C1=O.
What is the InChIKey of 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one?
The InChIKey is CXYBGNPAHTZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-8-15-13-7-5-10-16(14(13)18)9-4-6-12(2)11-17/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one?
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 114152228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).