1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one

C19H28N2O2 — CID 110741288

IUPAC1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H28N2O2/c22-19(11-6-16-23-18-9-2-1-3-10-18)21-14-12-20(13-15-21)17-7-4-5-8-17/h1-3,9-10,17H,4-8,11-16H2
InChIKeyBQWGFPSWCKIGDH-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one

1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one (PubChem CID 110741288) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
PubChem CID110741288
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H28N2O2/c22-19(11-6-16-23-18-9-2-1-3-10-18)21-14-12-20(13-15-21)17-7-4-5-8-17/h1-3,9-10,17H,4-8,11-16H2
InChIKeyBQWGFPSWCKIGDH-UHFFFAOYSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95759309
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one
CID 70955720
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
3-oxo-3-[4-(4-phenoxybutanoyl)-1,4-diazepan-1-yl]propanenitrile
CID 108543343
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
2-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 134020573

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one (CID 110741288) is 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one?
The InChIKey is BQWGFPSWCKIGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(11-6-16-23-18-9-2-1-3-10-18)21-14-12-20(13-15-21)17-7-4-5-8-17/h1-3,9-10,17H,4-8,11-16H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one?
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one is sourced from PubChem (CID 110741288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).