8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

C22H24N2O3 — CID 14014460

IUPAC8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SMILESO=c1ccc2cccc(OCCCN3CCN(c4ccccc4)CC3)c2o1
InChIInChI=1S/C22H24N2O3/c25-21-11-10-18-6-4-9-20(22(18)27-21)26-17-5-12-23-13-15-24(16-14-23)19-7-2-1-3-8-19/h1-4,6-11H,5,12-17H2
InChIKeySBHLOBXEHNSIQV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds6

About 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one (PubChem CID 14014460) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one.

Molecular Properties

Compound Name8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
PubChem CID14014460
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SMILESO=c1ccc2cccc(OCCCN3CCN(c4ccccc4)CC3)c2o1
InChIInChI=1S/C22H24N2O3/c25-21-11-10-18-6-4-9-20(22(18)27-21)26-17-5-12-23-13-15-24(16-14-23)19-7-2-1-3-8-19/h1-4,6-11H,5,12-17H2
InChIKeySBHLOBXEHNSIQV-UHFFFAOYSA-N
XLogP3.38
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710
7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014437
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014436
1-methyl-3-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea
CID 139783466
8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21243031
3-(4-phenylpiperazin-1-yl)propyl sulfite
CID 174503214
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
CID 3784957
9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
CID 10527744

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The IUPAC name of 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one (CID 14014460) is 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one.
What is the SMILES notation for 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The canonical SMILES for 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one is O=c1ccc2cccc(OCCCN3CCN(c4ccccc4)CC3)c2o1.
What is the InChIKey of 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The InChIKey is SBHLOBXEHNSIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21-11-10-18-6-4-9-20(22(18)27-21)26-17-5-12-23-13-15-24(16-14-23)19-7-2-1-3-8-19/h1-4,6-11H,5,12-17H2.
What are the key properties of 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one is sourced from PubChem (CID 14014460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).