(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone

C22H25N3O — CID 70736951

IUPAC(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCC1=C(c2ccccc2)C1C(=O)N1CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C22H25N3O/c1-16-7-6-10-23-19(16)15-24-11-13-25(14-12-24)22(26)21-17(2)20(21)18-8-4-3-5-9-18/h3-10,21H,11-15H2,1-2H3
InChIKeyMFGCQMZORISYFW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.14
Rot. Bonds4

About (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone

(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 70736951) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID70736951
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCC1=C(c2ccccc2)C1C(=O)N1CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C22H25N3O/c1-16-7-6-10-23-19(16)15-24-11-13-25(14-12-24)22(26)21-17(2)20(21)18-8-4-3-5-9-18/h3-10,21H,11-15H2,1-2H3
InChIKeyMFGCQMZORISYFW-UHFFFAOYSA-N
XLogP3.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (CID 70736951) is (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is CC1=C(c2ccccc2)C1C(=O)N1CCN(Cc2ncccc2C)CC1.
What is the InChIKey of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is MFGCQMZORISYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-7-6-10-23-19(16)15-24-11-13-25(14-12-24)22(26)21-17(2)20(21)18-8-4-3-5-9-18/h3-10,21H,11-15H2,1-2H3.
What are the key properties of (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 70736951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).