4-amino-N-butyl-2-methylpiperidine-1-carboxamide

C11H23N3O — CID 115312277

IUPAC4-amino-N-butyl-2-methylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(N)CC1C
InChIInChI=1S/C11H23N3O/c1-3-4-6-13-11(15)14-7-5-10(12)8-9(14)2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyLDQRCZVBXCDSIJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds3

About 4-amino-N-butyl-2-methylpiperidine-1-carboxamide

4-amino-N-butyl-2-methylpiperidine-1-carboxamide (PubChem CID 115312277) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-amino-N-butyl-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-2-methylpiperidine-1-carboxamide
PubChem CID115312277
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-amino-N-butyl-2-methylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(N)CC1C
InChIInChI=1S/C11H23N3O/c1-3-4-6-13-11(15)14-7-5-10(12)8-9(14)2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyLDQRCZVBXCDSIJ-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744370
3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
CID 131089427
1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743904
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
CID 124683352
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-2-methylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-N-butyl-2-methylpiperidine-1-carboxamide (CID 115312277) is 4-amino-N-butyl-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-2-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-butyl-2-methylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(N)CC1C.
What is the InChIKey of 4-amino-N-butyl-2-methylpiperidine-1-carboxamide?
The InChIKey is LDQRCZVBXCDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-4-6-13-11(15)14-7-5-10(12)8-9(14)2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-butyl-2-methylpiperidine-1-carboxamide?
4-amino-N-butyl-2-methylpiperidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115312277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).