1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione

C22H23Cl2N3O2 — CID 167622663

IUPAC1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione
SMILESCc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(Cl)cc2)C(CC2CCC2)C1=O
InChIInChI=1S/C22H23Cl2N3O2/c1-14-9-18(24)11-25-21(14)27-13-20(28)26(12-16-5-7-17(23)8-6-16)19(22(27)29)10-15-3-2-4-15/h5-9,11,15,19H,2-4,10,12-13H2,1H3
InChIKeyMQVIRMYDVRARQD-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.63
Rot. Bonds5

About 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione

1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione (PubChem CID 167622663) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione
PubChem CID167622663
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione
SMILESCc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(Cl)cc2)C(CC2CCC2)C1=O
InChIInChI=1S/C22H23Cl2N3O2/c1-14-9-18(24)11-25-21(14)27-13-20(28)26(12-16-5-7-17(23)8-6-16)19(22(27)29)10-15-3-2-4-15/h5-9,11,15,19H,2-4,10,12-13H2,1H3
InChIKeyMQVIRMYDVRARQD-UHFFFAOYSA-N
XLogP4.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chlorophenyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone
CID 870371
(S)-5-chloro-6-(4-(1-(4-chlorobenzoyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-methylnicotinamide
CID 53318514
(S)-azetidin-1-yl(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)pyridin-3-yl)methanone
CID 53322511
(2,4-Dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 879759
(3-Chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 870370
5-(4-chlorobenzyl)-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2768926
N-(benzylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 2999184
3-(4-chlorophenyl)-2-pyridin-2-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3244208
(E)-3-(4-chlorophenyl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide
CID 5675806
(E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 5676813
1-{3-[(1S)-amino-3-methylbutyl]-2-pyridinyl}-4-[3-(2,4-dichlorophenyl)-propionyl]piperazine
CID 24740310
1-{3-[(1R)-amino-3-methylbutyl]-2-pyridinyl}-4-[3-(2,4-dichlorophenyl)-propionyl]piperazine
CID 24740311

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione (CID 167622663) is 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione is Cc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(Cl)cc2)C(CC2CCC2)C1=O.
What is the InChIKey of 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione?
The InChIKey is MQVIRMYDVRARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-14-9-18(24)11-25-21(14)27-13-20(28)26(12-16-5-7-17(23)8-6-16)19(22(27)29)10-15-3-2-4-15/h5-9,11,15,19H,2-4,10,12-13H2,1H3.
What are the key properties of 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione?
1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione has a molecular weight of 432.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methyl-2-pyridinyl)-4-[(4-chlorophenyl)methyl]-3-(cyclobutylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 167622663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).