N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

C16H30N2O3 — CID 103771492

IUPACN-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-11(2)8-14(19)9-17-15(20)13-6-5-7-18(10-13)16(21)12(3)4/h11-14,19H,5-10H2,1-4H3,(H,17,20)
InChIKeyZPNGUJDEJHZKJS-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.40
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 103771492) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID103771492
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-11(2)8-14(19)9-17-15(20)13-6-5-7-18(10-13)16(21)12(3)4/h11-14,19H,5-10H2,1-4H3,(H,17,20)
InChIKeyZPNGUJDEJHZKJS-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94093245
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
CID 124590693
(3R)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94090965
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 103771492) is N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)CC(O)CNC(=O)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is ZPNGUJDEJHZKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)8-14(19)9-17-15(20)13-6-5-7-18(10-13)16(21)12(3)4/h11-14,19H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 103771492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).