N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide

C13H27N3O — CID 114507061

IUPACN-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(NC)C(CC)C1
InChIInChI=1S/C13H27N3O/c1-4-6-8-15-13(17)16-9-7-12(14-3)11(5-2)10-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyHUYKMJDGAVCYCK-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.82
Rot. Bonds5

About N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide

N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide (PubChem CID 114507061) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
PubChem CID114507061
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(NC)C(CC)C1
InChIInChI=1S/C13H27N3O/c1-4-6-8-15-13(17)16-9-7-12(14-3)11(5-2)10-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyHUYKMJDGAVCYCK-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.82
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-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 107652895
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
2-cyclobutyl-1-[3-ethyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161335
(3aR,7aR)-N-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-6-carboxamide
CID 178199557
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-butyl-2-methylthiomorpholine-4-carboxamide
CID 115612052

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
The IUPAC name of N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide (CID 114507061) is N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
The canonical SMILES for N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide is CCCCNC(=O)N1CCC(NC)C(CC)C1.
What is the InChIKey of N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
The InChIKey is HUYKMJDGAVCYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-6-8-15-13(17)16-9-7-12(14-3)11(5-2)10-16/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide is sourced from PubChem (CID 114507061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).