1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

C24H28ClN3O4 — CID 25162102

IUPAC1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O4/c1-3-27(16-22(29)26-20-8-10-21(32-2)11-9-20)23(30)18-12-14-28(15-13-18)24(31)17-4-6-19(25)7-5-17/h4-11,18H,3,12-16H2,1-2H3,(H,26,29)
InChIKeyRLAPBVAZKXTQGW-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 25162102) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID25162102
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O4/c1-3-27(16-22(29)26-20-8-10-21(32-2)11-9-20)23(30)18-12-14-28(15-13-18)24(31)17-4-6-19(25)7-5-17/h4-11,18H,3,12-16H2,1-2H3,(H,26,29)
InChIKeyRLAPBVAZKXTQGW-UHFFFAOYSA-N
XLogP3.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Clanobutin
CID 35378
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
Succinamide peptidomimetic, 33
CID 11238059
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
(2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648317
(2S)-2-{[4-(3-chlorophenyl)phenyl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648335
(2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648358

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 25162102) is 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RLAPBVAZKXTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-3-27(16-22(29)26-20-8-10-21(32-2)11-9-20)23(30)18-12-14-28(15-13-18)24(31)17-4-6-19(25)7-5-17/h4-11,18H,3,12-16H2,1-2H3,(H,26,29).
What are the key properties of 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 25162102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).