N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide

C18H27N3O2 — CID 119783037

IUPACN-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(CC(N)=O)Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-14(16-7-9-20-10-8-16)11-18(23)21(13-17(19)22)12-15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H2,19,22)
InChIKeyPDIPOUODODSZQF-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.53
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide

N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide (PubChem CID 119783037) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
PubChem CID119783037
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(CC(N)=O)Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-14(16-7-9-20-10-8-16)11-18(23)21(13-17(19)22)12-15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H2,19,22)
InChIKeyPDIPOUODODSZQF-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119728999
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
CID 119821292
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide (CID 119783037) is N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide is CC(CC(=O)N(CC(N)=O)Cc1ccccc1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide?
The InChIKey is PDIPOUODODSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(16-7-9-20-10-8-16)11-18(23)21(13-17(19)22)12-15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H2,19,22).
What are the key properties of N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide?
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide has a molecular weight of 317.43 g/mol, XLogP of 1.53, 7 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-benzyl-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119783037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).