N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide

C17H33N3O2 — CID 119660200

IUPACN-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)N(C)CCC(N)C(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-5-7-16(21)20-10-6-8-14(12-20)17(22)19(4)11-9-15(18)13(2)3/h13-15H,5-12,18H2,1-4H3
InChIKeyBPMDJRDZMLYXKJ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.86
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide

N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide (PubChem CID 119660200) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
PubChem CID119660200
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)N(C)CCC(N)C(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-5-7-16(21)20-10-6-8-14(12-20)17(22)19(4)11-9-15(18)13(2)3/h13-15H,5-12,18H2,1-4H3
InChIKeyBPMDJRDZMLYXKJ-UHFFFAOYSA-N
XLogP1.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 111695757
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119657976
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
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
(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
CID 119659230
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide (CID 119660200) is N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)N(C)CCC(N)C(C)C)C1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide?
The InChIKey is BPMDJRDZMLYXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-5-7-16(21)20-10-6-8-14(12-20)17(22)19(4)11-9-15(18)13(2)3/h13-15H,5-12,18H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide?
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119660200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).