1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119443592

IUPAC1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-5-15(20)19-11-4-6-13(12-19)16(21)18(2)14-7-9-17-10-8-14;/h13-14,17H,3-12H2,1-2H3;1H
InChIKeyAUVGLVRRLUQVAZ-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.66
Rot. Bonds4

About 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride

1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119443592) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119443592
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-5-15(20)19-11-4-6-13(12-19)16(21)18(2)14-7-9-17-10-8-14;/h13-14,17H,3-12H2,1-2H3;1H
InChIKeyAUVGLVRRLUQVAZ-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119442831
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119554864
N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119554865
1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 111695757
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride (CID 119443592) is 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride is CCCC(=O)N1CCCC(C(=O)N(C)C2CCNCC2)C1.Cl.
What is the InChIKey of 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is AUVGLVRRLUQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-5-15(20)19-11-4-6-13(12-19)16(21)18(2)14-7-9-17-10-8-14;/h13-14,17H,3-12H2,1-2H3;1H.
What are the key properties of 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride?
1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119443592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).