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

C19H25FN2O3 — CID 134005471

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-5-7-17(8-6-16)25-14-9-18(23)21-10-12-22(13-11-21)19(24)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2
InChIKeyJCKVYHDSUDGCBR-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.46
Rot. Bonds5

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

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one (PubChem CID 134005471) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
PubChem CID134005471
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-5-7-17(8-6-16)25-14-9-18(23)21-10-12-22(13-11-21)19(24)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2
InChIKeyJCKVYHDSUDGCBR-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
3-(4-fluorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370418
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(4-fluorophenoxy)propan-1-one
CID 119636122
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
3-[(3S)-1-[3-(4-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415349
3-(4-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60751054
1-[3-(4-fluorophenoxy)propanoyl]-1,4-diazepan-5-one
CID 62045227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one (CID 134005471) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one is O=C(CCOc1ccc(F)cc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one?
The InChIKey is JCKVYHDSUDGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-5-7-17(8-6-16)25-14-9-18(23)21-10-12-22(13-11-21)19(24)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one has a molecular weight of 348.42 g/mol, XLogP of 2.46, 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-(4-fluorophenoxy)propan-1-one is sourced from PubChem (CID 134005471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).