N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide

C18H23N3O3 — CID 136536608

IUPACN-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCCC(C)(C)C2C#N)c1
InChIInChI=1S/C18H23N3O3/c1-18(2)8-5-9-21(15(18)11-19)16(22)12-20-17(23)13-6-4-7-14(10-13)24-3/h4,6-7,10,15H,5,8-9,12H2,1-3H3,(H,20,23)
InChIKeyBUHFLDMETBVTHV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide

N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 136536608) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide
PubChem CID136536608
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCCC(C)(C)C2C#N)c1
InChIInChI=1S/C18H23N3O3/c1-18(2)8-5-9-21(15(18)11-19)16(22)12-20-17(23)13-6-4-7-14(10-13)24-3/h4,6-7,10,15H,5,8-9,12H2,1-3H3,(H,20,23)
InChIKeyBUHFLDMETBVTHV-UHFFFAOYSA-N
XLogP1.97
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
2-[2-[(3-methoxybenzoyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120520980
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
4-tert-butyl-N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 55955388
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 55956031
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide (CID 136536608) is N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)N2CCCC(C)(C)C2C#N)c1.
What is the InChIKey of N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is BUHFLDMETBVTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2)8-5-9-21(15(18)11-19)16(22)12-20-17(23)13-6-4-7-14(10-13)24-3/h4,6-7,10,15H,5,8-9,12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide?
N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 136536608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).