(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone

C20H24N2O2 — CID 17175869

IUPAC(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-2-15-24-19-10-6-7-17(16-19)20(23)22-13-11-21(12-14-22)18-8-4-3-5-9-18/h3-10,16H,2,11-15H2,1H3
InChIKeyHBDZOZHBCCVCDS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.44
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone

(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone (PubChem CID 17175869) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
PubChem CID17175869
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-2-15-24-19-10-6-7-17(16-19)20(23)22-13-11-21(12-14-22)18-8-4-3-5-9-18/h3-10,16H,2,11-15H2,1H3
InChIKeyHBDZOZHBCCVCDS-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
3-[3-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399263
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 5202976
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
2-(4-chlorophenyl)-1-[4-(3-propoxybenzoyl)piperazin-1-yl]ethanone
CID 78891079
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxybenzamide
CID 17334282
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone (CID 17175869) is (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
The InChIKey is HBDZOZHBCCVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-15-24-19-10-6-7-17(16-19)20(23)22-13-11-21(12-14-22)18-8-4-3-5-9-18/h3-10,16H,2,11-15H2,1H3.
What are the key properties of (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 17175869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).