[4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H19ClN2O3 — CID 4800484

IUPAC[4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H19ClN2O3/c17-13-5-2-1-4-12(13)15(20)18-7-9-19(10-8-18)16(21)14-6-3-11-22-14/h1-2,4-5,14H,3,6-11H2
InChIKeyCIIMILFSPUUXIJ-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.80
Rot. Bonds2

About [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 4800484) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID4800484
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name[4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H19ClN2O3/c17-13-5-2-1-4-12(13)15(20)18-7-9-19(10-8-18)16(21)14-6-3-11-22-14/h1-2,4-5,14H,3,6-11H2
InChIKeyCIIMILFSPUUXIJ-UHFFFAOYSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Chlorobenzoyl)-morpholine
CID 225451
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
Oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone
CID 4843810
4-[4-(Oxolane-2-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 16276671
1-(4-chlorobenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2921033
4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572003
2-chloro-N-{3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]propyl}benzamide
CID 3411281
2,4-dichloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
CID 4883846
[4-(4-Methylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 16276669
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
4-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-1-(tetrahydro-2-furanylmethyl)-2-piperazinone
CID 25270801
(2-Chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone
CID 155554941

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 4800484) is [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1ccccc1Cl)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is CIIMILFSPUUXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-13-5-2-1-4-12(13)15(20)18-7-9-19(10-8-18)16(21)14-6-3-11-22-14/h1-2,4-5,14H,3,6-11H2.
What are the key properties of [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 322.79 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 4800484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).