1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

C22H23Cl2N3O3 — CID 17498503

IUPAC1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23Cl2N3O3/c1-14-18(24)3-2-4-19(14)26-20(28)13-25-21(29)15-9-11-27(12-10-15)22(30)16-5-7-17(23)8-6-16/h2-8,15H,9-13H2,1H3,(H,25,29)(H,26,28)
InChIKeyKGGBVDZNIDRWLF-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 17498503) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID17498503
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23Cl2N3O3/c1-14-18(24)3-2-4-19(14)26-20(28)13-25-21(29)15-9-11-27(12-10-15)22(30)16-5-7-17(23)8-6-16/h2-8,15H,9-13H2,1H3,(H,25,29)(H,26,28)
InChIKeyKGGBVDZNIDRWLF-UHFFFAOYSA-N
XLogP3.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
CID 17471154
(3S)-3-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1,3-dicarboxamide
CID 51924999
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841571
1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24584538
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113007215
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011043
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9033863

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 17498503) is 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is KGGBVDZNIDRWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-14-18(24)3-2-4-19(14)26-20(28)13-25-21(29)15-9-11-27(12-10-15)22(30)16-5-7-17(23)8-6-16/h2-8,15H,9-13H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 448.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 17498503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).