1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C22H26ClN3O2 — CID 24793179

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C22H26ClN3O2/c1-2-16-5-9-20(24-13-16)14-25-22(28)18-6-10-21(27)26(15-18)12-11-17-3-7-19(23)8-4-17/h3-5,7-9,13,18H,2,6,10-12,14-15H2,1H3,(H,25,28)
InChIKeyYTOUXADKJHBBLG-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.39
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793179) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793179
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)nc1
InChIInChI=1S/C22H26ClN3O2/c1-2-16-5-9-20(24-13-16)14-25-22(28)18-6-10-21(27)26(15-18)12-11-17-3-7-19(23)8-4-17/h3-5,7-9,13,18H,2,6,10-12,14-15H2,1H3,(H,25,28)
InChIKeyYTOUXADKJHBBLG-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Befiradol
CID 9865384
Sch 37370
CID 60680
Sch 40338
CID 9950564
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10835365
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57399391
N-(4-chlorobenzyl)-2,2-dimethyl-N-(3-pyridinylmethyl)propanamide
CID 2726744
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
4-(4-chlorophenyl)-N-(4-pyridinylmethyl)cyclohexanecarboxamide
CID 2815215
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819416
1-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 9828259

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24793179) is 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is CCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)nc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is YTOUXADKJHBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-2-16-5-9-20(24-13-16)14-25-22(28)18-6-10-21(27)26(15-18)12-11-17-3-7-19(23)8-4-17/h3-5,7-9,13,18H,2,6,10-12,14-15H2,1H3,(H,25,28).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).