[3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

C28H30N4O2 — CID 984602

IUPAC[3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H30N4O2/c33-27(31-18-14-29(15-19-31)25-10-3-1-4-11-25)23-8-7-9-24(22-23)28(34)32-20-16-30(17-21-32)26-12-5-2-6-13-26/h1-13,22H,14-21H2
InChIKeyANIYBQKJLOCTTB-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.61
Rot. Bonds4

About [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

[3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 984602) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID984602
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name[3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H30N4O2/c33-27(31-18-14-29(15-19-31)25-10-3-1-4-11-25)23-8-7-9-24(22-23)28(34)32-20-16-30(17-21-32)26-12-5-2-6-13-26/h1-13,22H,14-21H2
InChIKeyANIYBQKJLOCTTB-UHFFFAOYSA-N
XLogP3.61
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 984602) is [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ANIYBQKJLOCTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-27(31-18-14-29(15-19-31)25-10-3-1-4-11-25)23-8-7-9-24(22-23)28(34)32-20-16-30(17-21-32)26-12-5-2-6-13-26/h1-13,22H,14-21H2.
What are the key properties of [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 454.57 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylpiperazine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 984602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).