1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

C18H27N3O3 — CID 72923133

IUPAC1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-20(16-8-4-3-5-9-16)12-10-19-18(23)15-7-6-11-21(13-15)17(22)14-24-2/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,19,23)
InChIKeyREFICTCZRQIZOT-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.12
Rot. Bonds7

About 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 72923133) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
PubChem CID72923133
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-20(16-8-4-3-5-9-16)12-10-19-18(23)15-7-6-11-21(13-15)17(22)14-24-2/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,19,23)
InChIKeyREFICTCZRQIZOT-UHFFFAOYSA-N
XLogP1.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 46775234
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55452204

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (CID 72923133) is 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCCN(C)c2ccccc2)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is REFICTCZRQIZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(16-8-4-3-5-9-16)12-10-19-18(23)15-7-6-11-21(13-15)17(22)14-24-2/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72923133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).