[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone

C27H31N5O — CID 53180808

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N4CCNC(c5ccccc5)C4)nc3)CC2)c1
InChIInChI=1S/C27H31N5O/c1-21-6-5-9-24(18-21)30-14-16-31(17-15-30)27(33)23-10-11-26(29-19-23)32-13-12-28-25(20-32)22-7-3-2-4-8-22/h2-11,18-19,25,28H,12-17,20H2,1H3
InChIKeyRASUFZFCSLEIPW-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.50
Rot. Bonds4

About [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 53180808) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID53180808
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N4CCNC(c5ccccc5)C4)nc3)CC2)c1
InChIInChI=1S/C27H31N5O/c1-21-6-5-9-24(18-21)30-14-16-31(17-15-30)27(33)23-10-11-26(29-19-23)32-13-12-28-25(20-32)22-7-3-2-4-8-22/h2-11,18-19,25,28H,12-17,20H2,1H3
InChIKeyRASUFZFCSLEIPW-UHFFFAOYSA-N
XLogP3.50
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105158
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164
[4-(3-methylphenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104857
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180758
1-(3-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944303
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 95104986
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone (CID 53180808) is [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(N4CCNC(c5ccccc5)C4)nc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is RASUFZFCSLEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-21-6-5-9-24(18-21)30-14-16-31(17-15-30)27(33)23-10-11-26(29-19-23)32-13-12-28-25(20-32)22-7-3-2-4-8-22/h2-11,18-19,25,28H,12-17,20H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 441.58 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 53180808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).