[4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C15H20ClN3O2 — CID 976980

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2
InChIKeyKDSIRFZJOTZBPT-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.91
Rot. Bonds1

About [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 976980) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID976980
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2
InChIKeyKDSIRFZJOTZBPT-UHFFFAOYSA-N
XLogP1.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imepitoin
CID 3083511
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
N-(3,4-dichlorophenyl)morpholine-4-carboxamide
CID 3863406
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
Cambridge id 5628081
CID 234240
1-(3-Chlorophenyl)-4-(methoxyacetyl)piperazine
CID 808459
[4-(4-Fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 838922
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825
1-(4-Chlorophenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9882126
N-(3,4-dichlorophenyl)-4-[[(2S)-4-ethylmorpholin-2-yl]methyl]piperazine-1-carboxamide
CID 11711078

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 976980) is [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is KDSIRFZJOTZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 309.80 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 976980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).