N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide

C13H26N2O3 — CID 106188309

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
SMILESCOCC(CO)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C13H26N2O3/c1-10(11-4-3-5-14-7-11)6-13(17)15-12(8-16)9-18-2/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyYTWVUKWSOQDENH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.14
Rot. Bonds7

About N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide

N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide (PubChem CID 106188309) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
PubChem CID106188309
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
SMILESCOCC(CO)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C13H26N2O3/c1-10(11-4-3-5-14-7-11)6-13(17)15-12(8-16)9-18-2/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyYTWVUKWSOQDENH-UHFFFAOYSA-N
XLogP0.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide
CID 119812115

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide (CID 106188309) is N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide is COCC(CO)NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is YTWVUKWSOQDENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(11-4-3-5-14-7-11)6-13(17)15-12(8-16)9-18-2/h10-12,14,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 258.36 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 106188309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).