N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide

C13H26N2O3 — CID 81044622

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(C)(O)CO)C1CCCNC1
InChIInChI=1S/C13H26N2O3/c1-10(11-4-3-5-14-7-11)6-12(17)15-8-13(2,18)9-16/h10-11,14,16,18H,3-9H2,1-2H3,(H,15,17)
InChIKeyCWMDEEDELMBRAU-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.13
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide

N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide (PubChem CID 81044622) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
PubChem CID81044622
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(C)(O)CO)C1CCCNC1
InChIInChI=1S/C13H26N2O3/c1-10(11-4-3-5-14-7-11)6-12(17)15-8-13(2,18)9-16/h10-11,14,16,18H,3-9H2,1-2H3,(H,15,17)
InChIKeyCWMDEEDELMBRAU-UHFFFAOYSA-N
XLogP-0.13
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790992
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2-methyl-2-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119830210
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide (CID 81044622) is N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC(C)(O)CO)C1CCCNC1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide?
The InChIKey is CWMDEEDELMBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(11-4-3-5-14-7-11)6-12(17)15-8-13(2,18)9-16/h10-11,14,16,18H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide has a molecular weight of 258.36 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).