N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide

C19H28N2O2 — CID 108503471

IUPACN-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCCC1CCCCN1C(=O)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H28N2O2/c1-4-17-12-8-9-13-20(17)18(22)19(23)21(15(2)3)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3
InChIKeyPCHIHQVQGZHXBK-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide

N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 108503471) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID108503471
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCCC1CCCCN1C(=O)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H28N2O2/c1-4-17-12-8-9-13-20(17)18(22)19(23)21(15(2)3)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3
InChIKeyPCHIHQVQGZHXBK-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125114
N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503370
2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 66567140
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109239732
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186053
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide (CID 108503471) is N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide is CCC1CCCCN1C(=O)C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is PCHIHQVQGZHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-17-12-8-9-13-20(17)18(22)19(23)21(15(2)3)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3.
What are the key properties of N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 316.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 108503471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).