N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide

C13H25N3O2 — CID 55060466

IUPACN-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1NCCCC1C
InChIInChI=1S/C13H25N3O2/c1-3-4-8-16(9-11(14)17)13(18)12-10(2)6-5-7-15-12/h10,12,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyXRFJFFRJSAXKQS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide (PubChem CID 55060466) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide
PubChem CID55060466
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1NCCCC1C
InChIInChI=1S/C13H25N3O2/c1-3-4-8-16(9-11(14)17)13(18)12-10(2)6-5-7-15-12/h10,12,15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyXRFJFFRJSAXKQS-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide (CID 55060466) is N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide is CCCCN(CC(N)=O)C(=O)C1NCCCC1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide?
The InChIKey is XRFJFFRJSAXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-4-8-16(9-11(14)17)13(18)12-10(2)6-5-7-15-12/h10,12,15H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 55060466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).