[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C19H20Cl3N3O — CID 120729008

IUPAC[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC1c1ccc(Cl)cc1Cl)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19Cl2N3O.ClH/c20-13-3-4-14(17(21)8-13)15-9-16(15)19(25)24-7-6-23-11-18(24)12-2-1-5-22-10-12;/h1-5,8,10,15-16,18,23H,6-7,9,11H2;1H
InChIKeyNMWSMZNNBOWAHB-UHFFFAOYSA-N
MW412.75 g/mol
LogP4.09
Rot. Bonds3

About [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120729008) has the molecular formula C19H20Cl3N3O and a molecular weight of 412.75 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120729008
Molecular FormulaC19H20Cl3N3O
Molecular Weight412.75 g/mol
Exact Mass411.07
IUPAC Name[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC1c1ccc(Cl)cc1Cl)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19Cl2N3O.ClH/c20-13-3-4-14(17(21)8-13)15-9-16(15)19(25)24-7-6-23-11-18(24)12-2-1-5-22-10-12;/h1-5,8,10,15-16,18,23H,6-7,9,11H2;1H
InChIKeyNMWSMZNNBOWAHB-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731899
[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730770
(2-pyridin-3-ylpiperazin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 120730359
[2-[2-(difluoromethoxy)phenyl]cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730891
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
4-(2,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732685
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120729008) is [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cl.O=C(C1CC1c1ccc(Cl)cc1Cl)N1CCNCC1c1cccnc1.
What is the InChIKey of [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is NMWSMZNNBOWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O.ClH/c20-13-3-4-14(17(21)8-13)15-9-16(15)19(25)24-7-6-23-11-18(24)12-2-1-5-22-10-12;/h1-5,8,10,15-16,18,23H,6-7,9,11H2;1H.
What are the key properties of [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 412.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120729008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).