1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione

C19H26ClN3O3 — CID 121448939

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CN1CCOCC1
InChIInChI=1S/C19H26ClN3O3/c20-16-2-1-3-17(14-16)22-6-8-23(9-7-22)19(25)5-4-18(24)15-21-10-12-26-13-11-21/h1-3,14H,4-13,15H2
InChIKeyGHGIJHVVCPGGMD-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.67
Rot. Bonds6

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione (PubChem CID 121448939) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
PubChem CID121448939
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CN1CCOCC1
InChIInChI=1S/C19H26ClN3O3/c20-16-2-1-3-17(14-16)22-6-8-23(9-7-22)19(25)5-4-18(24)15-21-10-12-26-13-11-21/h1-3,14H,4-13,15H2
InChIKeyGHGIJHVVCPGGMD-UHFFFAOYSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 4518994
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione (CID 121448939) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione is O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CN1CCOCC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione?
The InChIKey is GHGIJHVVCPGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-16-2-1-3-17(14-16)22-6-8-23(9-7-22)19(25)5-4-18(24)15-21-10-12-26-13-11-21/h1-3,14H,4-13,15H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione?
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione has a molecular weight of 379.89 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione is sourced from PubChem (CID 121448939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).