1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one

C19H26N2O3 — CID 110364757

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H26N2O3/c22-18(10-15-24-17-8-2-1-3-9-17)20-11-13-21(14-12-20)19(23)16-6-4-5-7-16/h1-3,8-9,16H,4-7,10-15H2
InChIKeyQEUQDIJWDMAILC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.32
Rot. Bonds5

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110364757) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID110364757
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H26N2O3/c22-18(10-15-24-17-8-2-1-3-9-17)20-11-13-21(14-12-20)19(23)16-6-4-5-7-16/h1-3,8-9,16H,4-7,10-15H2
InChIKeyQEUQDIJWDMAILC-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 55856431
1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 119176074
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
1-[4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55909848
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one (CID 110364757) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is QEUQDIJWDMAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(10-15-24-17-8-2-1-3-9-17)20-11-13-21(14-12-20)19(23)16-6-4-5-7-16/h1-3,8-9,16H,4-7,10-15H2.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110364757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).