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

C17H32N2O3 — CID 111460809

IUPACN-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NCCC(O)C(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-5-13(4)17(22)19-10-6-7-14(11-19)16(21)18-9-8-15(20)12(2)3/h12-15,20H,5-11H2,1-4H3,(H,18,21)
InChIKeyKWAVVJFZSYSGLF-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.79
Rot. Bonds7

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

N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide (PubChem CID 111460809) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
PubChem CID111460809
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NCCC(O)C(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-5-13(4)17(22)19-10-6-7-14(11-19)16(21)18-9-8-15(20)12(2)3/h12-15,20H,5-11H2,1-4H3,(H,18,21)
InChIKeyKWAVVJFZSYSGLF-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119510783
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide (CID 111460809) is N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide is CCC(C)C(=O)N1CCCC(C(=O)NCCC(O)C(C)C)C1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The InChIKey is KWAVVJFZSYSGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-13(4)17(22)19-10-6-7-14(11-19)16(21)18-9-8-15(20)12(2)3/h12-15,20H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide?
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 111460809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).