1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide

C15H28N2O3 — CID 111695757

IUPAC1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)N(C)CCC(C)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-6-14(19)17-9-5-7-13(11-17)15(20)16(3)10-8-12(2)18/h12-13,18H,4-11H2,1-3H3
InChIKeyWNRVMJGZCVJHSY-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.25
Rot. Bonds6

About 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide

1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide (PubChem CID 111695757) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
PubChem CID111695757
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)N(C)CCC(C)O)C1
InChIInChI=1S/C15H28N2O3/c1-4-6-14(19)17-9-5-7-13(11-17)15(20)16(3)10-8-12(2)18/h12-13,18H,4-11H2,1-3H3
InChIKeyWNRVMJGZCVJHSY-UHFFFAOYSA-N
XLogP1.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000
3-[(1-butanoylpiperidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190750
N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119443592
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide (CID 111695757) is 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)N(C)CCC(C)O)C1.
What is the InChIKey of 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is WNRVMJGZCVJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-14(19)17-9-5-7-13(11-17)15(20)16(3)10-8-12(2)18/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide?
1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 111695757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).