3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C19H22ClN3O — CID 17460018

IUPAC3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(c3ccccn3)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-15-5-6-16(14-17(15)20)7-8-19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-6,9,14H,7-8,10-13H2,1H3
InChIKeyDYLRDHFOKNBQGP-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.32
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 17460018) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID17460018
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(c3ccccn3)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-15-5-6-16(14-17(15)20)7-8-19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-6,9,14H,7-8,10-13H2,1H3
InChIKeyDYLRDHFOKNBQGP-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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2-[(4-chlorophenyl)methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
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3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 17460018) is 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is Cc1ccc(CCC(=O)N2CCN(c3ccccn3)CC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is DYLRDHFOKNBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15-5-6-16(14-17(15)20)7-8-19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-6,9,14H,7-8,10-13H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 343.86 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 17460018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).