1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide

C25H31ClN4O3 — CID 24565591

IUPAC1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H31ClN4O3/c1-3-29(16-23(31)28-22-15-20(26)10-9-18(22)2)17-24(32)30-13-11-19(12-14-30)25(33)27-21-7-5-4-6-8-21/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyGXVVQBXLYCRDMO-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.79
Rot. Bonds8

About 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 24565591) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID24565591
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H31ClN4O3/c1-3-29(16-23(31)28-22-15-20(26)10-9-18(22)2)17-24(32)30-13-11-19(12-14-30)25(33)27-21-7-5-4-6-8-21/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyGXVVQBXLYCRDMO-UHFFFAOYSA-N
XLogP3.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24574544
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 55837891
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131911751
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11933395
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8791816

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide (CID 24565591) is 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GXVVQBXLYCRDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-3-29(16-23(31)28-22-15-20(26)10-9-18(22)2)17-24(32)30-13-11-19(12-14-30)25(33)27-21-7-5-4-6-8-21/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24565591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).