N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide

C12H24N2O2 — CID 83176255

IUPACN-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
SMILESCC(CCO)NC(=O)CCC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-10(6-8-15)14-12(16)5-4-11-3-2-7-13-9-11/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyXJNOCWBPDAQSJP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide

N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide (PubChem CID 83176255) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
PubChem CID83176255
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
SMILESCC(CCO)NC(=O)CCC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-10(6-8-15)14-12(16)5-4-11-3-2-7-13-9-11/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyXJNOCWBPDAQSJP-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-3-ylpropanamide
CID 106350021
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylpropanamide
CID 63843860
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
CID 106345005
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 81078722
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 81400796
5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 81078555
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(4-hydroxy-2-methylbutyl)-2-piperidin-3-ylacetamide
CID 66091830
N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
CID 115774843

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide (CID 83176255) is N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide is CC(CCO)NC(=O)CCC1CCCNC1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide?
The InChIKey is XJNOCWBPDAQSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(6-8-15)14-12(16)5-4-11-3-2-7-13-9-11/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide?
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 83176255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).