1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one

C19H28N2O3 — CID 95759309

IUPAC1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C19H28N2O3/c22-18-9-4-8-17(18)20-11-13-21(14-12-20)19(23)10-5-15-24-16-6-2-1-3-7-16/h1-3,6-7,17-18,22H,4-5,8-15H2/t17-,18+/m0/s1
InChIKeyDIWFDQCHPYHNMR-ZWKOTPCHSA-N
MW332.44 g/mol
LogP1.90
Rot. Bonds6

About 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one

1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one (PubChem CID 95759309) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
PubChem CID95759309
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C19H28N2O3/c22-18-9-4-8-17(18)20-11-13-21(14-12-20)19(23)10-5-15-24-16-6-2-1-3-7-16/h1-3,6-7,17-18,22H,4-5,8-15H2/t17-,18+/m0/s1
InChIKeyDIWFDQCHPYHNMR-ZWKOTPCHSA-N
XLogP1.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 167918207
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91773834
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91784644
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-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one (CID 95759309) is 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one?
The InChIKey is DIWFDQCHPYHNMR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-18-9-4-8-17(18)20-11-13-21(14-12-20)19(23)10-5-15-24-16-6-2-1-3-7-16/h1-3,6-7,17-18,22H,4-5,8-15H2/t17-,18+/m0/s1.
What are the key properties of 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one?
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one has a molecular weight of 332.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 95759309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).