[4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C15H20ClN3O2 — CID 946901

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2
InChIKeySIAVARWAJKXANO-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.91
Rot. Bonds1

About [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 946901) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID946901
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2
InChIKeySIAVARWAJKXANO-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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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 946901) is [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SIAVARWAJKXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-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-(3-chlorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 946901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).