N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide

C21H21Cl3N2O2 — CID 55631090

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C21H21Cl3N2O2/c22-17-5-1-3-14(11-17)8-9-25-20(27)16-4-2-10-26(13-16)21(28)15-6-7-18(23)19(24)12-15/h1,3,5-7,11-12,16H,2,4,8-10,13H2,(H,25,27)
InChIKeyWIRSDSPUCOHEID-UHFFFAOYSA-N
MW439.77 g/mol
LogP4.86
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide (PubChem CID 55631090) has the molecular formula C21H21Cl3N2O2 and a molecular weight of 439.77 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
PubChem CID55631090
Molecular FormulaC21H21Cl3N2O2
Molecular Weight439.77 g/mol
Exact Mass438.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C21H21Cl3N2O2/c22-17-5-1-3-14(11-17)8-9-25-20(27)16-4-2-10-26(13-16)21(28)15-6-7-18(23)19(24)12-15/h1,3,5-7,11-12,16H,2,4,8-10,13H2,(H,25,27)
InChIKeyWIRSDSPUCOHEID-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 60589630
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92729380
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide (CID 55631090) is N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide is O=C(NCCc1cccc(Cl)c1)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is WIRSDSPUCOHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N2O2/c22-17-5-1-3-14(11-17)8-9-25-20(27)16-4-2-10-26(13-16)21(28)15-6-7-18(23)19(24)12-15/h1,3,5-7,11-12,16H,2,4,8-10,13H2,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 439.77 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55631090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).