N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide

C13H27N3O — CID 79162694

IUPACN-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
SMILESCCCCN(CCN)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H27N3O/c1-3-4-8-15(10-7-14)13(17)16-9-5-6-12(2)11-16/h12H,3-11,14H2,1-2H3
InChIKeyAQKYUKFIEIUZBI-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.90
Rot. Bonds5

About N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide

N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide (PubChem CID 79162694) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
PubChem CID79162694
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
SMILESCCCCN(CCN)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H27N3O/c1-3-4-8-15(10-7-14)13(17)16-9-5-6-12(2)11-16/h12H,3-11,14H2,1-2H3
InChIKeyAQKYUKFIEIUZBI-UHFFFAOYSA-N
XLogP1.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79159316
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 116655130
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523010
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
N-(4-aminocyclohexyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79162664
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide (CID 79162694) is N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide is CCCCN(CCN)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide?
The InChIKey is AQKYUKFIEIUZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-4-8-15(10-7-14)13(17)16-9-5-6-12(2)11-16/h12H,3-11,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide?
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79162694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).