[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone

C18H21N3O3 — CID 110399395

IUPAC[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(c1ccc2ocnc2c1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H21N3O3/c22-17(13-3-1-2-4-13)20-7-9-21(10-8-20)18(23)14-5-6-16-15(11-14)19-12-24-16/h5-6,11-13H,1-4,7-10H2
InChIKeyTVFNJAOAHBOOGG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.30
Rot. Bonds2

About [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone

[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 110399395) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID110399395
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(c1ccc2ocnc2c1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H21N3O3/c22-17(13-3-1-2-4-13)20-7-9-21(10-8-20)18(23)14-5-6-16-15(11-14)19-12-24-16/h5-6,11-13H,1-4,7-10H2
InChIKeyTVFNJAOAHBOOGG-UHFFFAOYSA-N
XLogP2.30
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
CID 110803826
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(1,3-benzoxazol-5-yl)methanone
CID 110399436
methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110399443
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 110399432
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70755584
1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110388164
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
1-(1,3-benzoxazole-6-carbonyl)piperidine-4-carboxamide
CID 110765057
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
cyclobutyl-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809302

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone (CID 110399395) is [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone is O=C(c1ccc2ocnc2c1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is TVFNJAOAHBOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(13-3-1-2-4-13)20-7-9-21(10-8-20)18(23)14-5-6-16-15(11-14)19-12-24-16/h5-6,11-13H,1-4,7-10H2.
What are the key properties of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 327.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 110399395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).