N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

C14H26N2O3 — CID 43427722

IUPACN-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-12(9-17)15-13(18)11-6-5-7-16(8-11)14(19)10(2)3/h10-12,17H,4-9H2,1-3H3,(H,15,18)
InChIKeyKDEBOKPETLAVAC-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 43427722) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID43427722
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-12(9-17)15-13(18)11-6-5-7-16(8-11)14(19)10(2)3/h10-12,17H,4-9H2,1-3H3,(H,15,18)
InChIKeyKDEBOKPETLAVAC-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
CID 97316640
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61246188
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 103771492

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 43427722) is N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is CCC(CO)NC(=O)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is KDEBOKPETLAVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-12(9-17)15-13(18)11-6-5-7-16(8-11)14(19)10(2)3/h10-12,17H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 43427722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).