1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one

C21H24ClN3O3 — CID 175667141

IUPAC1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCOc1cc(=O)n2c(c1C(=O)N1CCN(c3cccc(Cl)c3)CC1)CCCC2
InChIInChI=1S/C21H24ClN3O3/c1-28-18-14-19(26)25-8-3-2-7-17(25)20(18)21(27)24-11-9-23(10-12-24)16-6-4-5-15(22)13-16/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyDIXVKSRDQPRPMX-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one

1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 175667141) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID175667141
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCOc1cc(=O)n2c(c1C(=O)N1CCN(c3cccc(Cl)c3)CC1)CCCC2
InChIInChI=1S/C21H24ClN3O3/c1-28-18-14-19(26)25-8-3-2-7-17(25)20(18)21(27)24-11-9-23(10-12-24)16-6-4-5-15(22)13-16/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyDIXVKSRDQPRPMX-UHFFFAOYSA-N
XLogP2.81
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one with MolForge

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Related Compounds

9-methoxy-10-(pyrrolidine-1-carbonyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepin-7-one
CID 29256696
2-methoxy-1-(4-prop-2-enylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 122172111
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
2-ethoxy-1-(4-methylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91914250
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
N-(3-chloro-4-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904418
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one (CID 175667141) is 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one is COc1cc(=O)n2c(c1C(=O)N1CCN(c3cccc(Cl)c3)CC1)CCCC2.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is DIXVKSRDQPRPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-28-18-14-19(26)25-8-3-2-7-17(25)20(18)21(27)24-11-9-23(10-12-24)16-6-4-5-15(22)13-16/h4-6,13-14H,2-3,7-12H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one?
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 401.89 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 175667141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).