N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide

C18H26N2O2 — CID 43002406

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H26N2O2/c1-12-5-13(2)8-16(7-12)18(22)19-9-17(21)20-10-14(3)6-15(4)11-20/h5,7-8,14-15H,6,9-11H2,1-4H3,(H,19,22)
InChIKeyMNGHWBNKNYKMQU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds3

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 43002406) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID43002406
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H26N2O2/c1-12-5-13(2)8-16(7-12)18(22)19-9-17(21)20-10-14(3)6-15(4)11-20/h5,7-8,14-15H,6,9-11H2,1-4H3,(H,19,22)
InChIKeyMNGHWBNKNYKMQU-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465251
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465252
N-[2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 99700393
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
5-methyl-1-[2-[(3-methyl-4-nitrobenzoyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122117427
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 97465236

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide (CID 43002406) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is MNGHWBNKNYKMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-5-13(2)8-16(7-12)18(22)19-9-17(21)20-10-14(3)6-15(4)11-20/h5,7-8,14-15H,6,9-11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 43002406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).