1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide

C19H27N3O4 — CID 51128375

IUPAC1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCCC(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C19H27N3O4/c1-4-26-16-9-7-14(8-10-16)18(24)20-12-17(23)22-11-5-6-15(13-22)19(25)21(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H,20,24)
InChIKeyQJXOSARSVSGPQX-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.14
Rot. Bonds6

About 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide

1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 51128375) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID51128375
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCCC(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C19H27N3O4/c1-4-26-16-9-7-14(8-10-16)18(24)20-12-17(23)22-11-5-6-15(13-22)19(25)21(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H,20,24)
InChIKeyQJXOSARSVSGPQX-UHFFFAOYSA-N
XLogP1.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-ethoxybenzamide
CID 136579673
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
CID 51163987
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 17425383
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574477
4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide
CID 56800435
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 51099242
4-bromo-N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 112795586
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 119482116

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide (CID 51128375) is 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide is CCOc1ccc(C(=O)NCC(=O)N2CCCC(C(=O)N(C)C)C2)cc1.
What is the InChIKey of 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is QJXOSARSVSGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-26-16-9-7-14(8-10-16)18(24)20-12-17(23)22-11-5-6-15(13-22)19(25)21(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H,20,24).
What are the key properties of 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 51128375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).