3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one

C27H24N2O3 — CID 14304994

IUPAC3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one
SMILESO=C(c1c(-c2ccccc2)oc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H24N2O3/c30-25-22-13-7-8-14-23(22)32-26(21-11-5-2-6-12-21)24(25)27(31)29-17-15-28(16-18-29)19-20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKeyZEUNYLPPFBPNHA-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.42
Rot. Bonds4

About 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one

3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one (PubChem CID 14304994) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one
PubChem CID14304994
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one
SMILESO=C(c1c(-c2ccccc2)oc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H24N2O3/c30-25-22-13-7-8-14-23(22)32-26(21-11-5-2-6-12-21)24(25)27(31)29-17-15-28(16-18-29)19-20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKeyZEUNYLPPFBPNHA-UHFFFAOYSA-N
XLogP4.42
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
CID 15991979
3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-7-hydroxy-2-phenylchromen-4-one
CID 22264820
2-[5-(4-benzylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482322
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9092800
(4-benzylpiperazin-1-yl)-(2-chloro-1-phenylindol-3-yl)methanone;hydrochloride
CID 76852601
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856061
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 100745674
10-[(5-oxochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 122400386
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
(4-benzylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
CID 112813669

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one?
The IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one (CID 14304994) is 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one.
What is the SMILES notation for 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one?
The canonical SMILES for 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one is O=C(c1c(-c2ccccc2)oc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one?
The InChIKey is ZEUNYLPPFBPNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-25-22-13-7-8-14-23(22)32-26(21-11-5-2-6-12-21)24(25)27(31)29-17-15-28(16-18-29)19-20-9-3-1-4-10-20/h1-14H,15-19H2.
What are the key properties of 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one?
3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one has a molecular weight of 424.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one is sourced from PubChem (CID 14304994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).