3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one

C19H28N2O2 — CID 119580262

IUPAC3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCN1
InChIInChI=1S/C19H28N2O2/c1-15-14-21(12-11-20-15)19(22)10-9-16-5-4-8-18(13-16)23-17-6-2-3-7-17/h4-5,8,13,15,17,20H,2-3,6-7,9-12,14H2,1H3
InChIKeyYJGAOMOCSRSRRL-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.76
Rot. Bonds5

About 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one

3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 119580262) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID119580262
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCN1
InChIInChI=1S/C19H28N2O2/c1-15-14-21(12-11-20-15)19(22)10-9-16-5-4-8-18(13-16)23-17-6-2-3-7-17/h4-5,8,13,15,17,20H,2-3,6-7,9-12,14H2,1H3
InChIKeyYJGAOMOCSRSRRL-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119381224
3-(3-bromophenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 124670153
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119469306
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730987
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83951681
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one (CID 119580262) is 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCN1.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is YJGAOMOCSRSRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-14-21(12-11-20-15)19(22)10-9-16-5-4-8-18(13-16)23-17-6-2-3-7-17/h4-5,8,13,15,17,20H,2-3,6-7,9-12,14H2,1H3.
What are the key properties of 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one?
3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119580262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).