N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide

C13H26N2O3 — CID 114010587

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
SMILESCCC(CO)(CO)NC(=O)CCC1CCCCN1
InChIInChI=1S/C13H26N2O3/c1-2-13(9-16,10-17)15-12(18)7-6-11-5-3-4-8-14-11/h11,14,16-17H,2-10H2,1H3,(H,15,18)
InChIKeyZSFZPEGAEPXHIH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.16
Rot. Bonds7

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide (PubChem CID 114010587) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
PubChem CID114010587
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
SMILESCCC(CO)(CO)NC(=O)CCC1CCCCN1
InChIInChI=1S/C13H26N2O3/c1-2-13(9-16,10-17)15-12(18)7-6-11-5-3-4-8-14-11/h11,14,16-17H,2-10H2,1H3,(H,15,18)
InChIKeyZSFZPEGAEPXHIH-UHFFFAOYSA-N
XLogP0.16
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
CID 154936756
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
2-[1-(azepan-2-yl)propan-2-ylamino]-2-ethylpropane-1,3-diol
CID 107865089
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
3-(azepan-2-yl)propanoic acid
CID 69475849
2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
CID 90744178
N-(2-hydroxycyclohexyl)-3-piperidin-2-ylpropanamide
CID 55064327
N-(4-hydroxycyclohexyl)-3-piperidin-2-ylpropanamide
CID 62212049

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide (CID 114010587) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide is CCC(CO)(CO)NC(=O)CCC1CCCCN1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide?
The InChIKey is ZSFZPEGAEPXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-13(9-16,10-17)15-12(18)7-6-11-5-3-4-8-14-11/h11,14,16-17H,2-10H2,1H3,(H,15,18).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.16, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 114010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).