(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone

C20H25N3O — CID 21336449

IUPAC(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
SMILESCC(Cc1ccncc1)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-16(15-17-7-9-21-10-8-17)18-3-5-19(6-4-18)20(24)23-13-11-22(2)12-14-23/h3-10,16H,11-15H2,1-2H3
InChIKeyRXWWUTUBQCLETH-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.82
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone

(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone (PubChem CID 21336449) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
PubChem CID21336449
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
SMILESCC(Cc1ccncc1)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-16(15-17-7-9-21-10-8-17)18-3-5-19(6-4-18)20(24)23-13-11-22(2)12-14-23/h3-10,16H,11-15H2,1-2H3
InChIKeyRXWWUTUBQCLETH-UHFFFAOYSA-N
XLogP2.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone
CID 59097818
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(2-methyl-3-phenylpropyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86800221

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone (CID 21336449) is (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone is CC(Cc1ccncc1)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone?
The InChIKey is RXWWUTUBQCLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16(15-17-7-9-21-10-8-17)18-3-5-19(6-4-18)20(24)23-13-11-22(2)12-14-23/h3-10,16H,11-15H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone has a molecular weight of 323.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone is sourced from PubChem (CID 21336449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).