3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride

C23H30ClN3O2 — CID 120730987

IUPAC3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1cccc(OC2CCCC2)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C23H29N3O2.ClH/c27-23(26-14-13-25-17-22(26)19-6-4-12-24-16-19)11-10-18-5-3-9-21(15-18)28-20-7-1-2-8-20;/h3-6,9,12,15-16,20,22,25H,1-2,7-8,10-11,13-14,17H2;1H
InChIKeyXZPYYYCKLZPLOQ-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.93
Rot. Bonds6

About 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride

3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 120730987) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID120730987
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1cccc(OC2CCCC2)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C23H29N3O2.ClH/c27-23(26-14-13-25-17-22(26)19-6-4-12-24-16-19)11-10-18-5-3-9-21(15-18)28-20-7-1-2-8-20;/h3-6,9,12,15-16,20,22,25H,1-2,7-8,10-11,13-14,17H2;1H
InChIKeyXZPYYYCKLZPLOQ-UHFFFAOYSA-N
XLogP3.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
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3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
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3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
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4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
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4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
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1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
N-methyl-4-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide;hydrochloride
CID 120729176
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride (CID 120730987) is 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride is Cl.O=C(CCc1cccc(OC2CCCC2)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is XZPYYYCKLZPLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c27-23(26-14-13-25-17-22(26)19-6-4-12-24-16-19)11-10-18-5-3-9-21(15-18)28-20-7-1-2-8-20;/h3-6,9,12,15-16,20,22,25H,1-2,7-8,10-11,13-14,17H2;1H.
What are the key properties of 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride?
3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120730987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).