(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C19H23N3O — CID 35856697

IUPAC(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1C
InChIInChI=1S/C19H23N3O/c1-15-4-3-5-18(16(15)2)19(23)22-12-10-21(11-13-22)14-17-6-8-20-9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyJNFQUADLZPYWHJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.66
Rot. Bonds3

About (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 35856697) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID35856697
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1C
InChIInChI=1S/C19H23N3O/c1-15-4-3-5-18(16(15)2)19(23)22-12-10-21(11-13-22)14-17-6-8-20-9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyJNFQUADLZPYWHJ-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2,3-dimethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37277247
(2-methyl-5-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226524
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(2,3-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483246
[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55756639
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644690
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856061
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
(2-methylfuran-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70727890
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 35856697) is (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JNFQUADLZPYWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-4-3-5-18(16(15)2)19(23)22-12-10-21(11-13-22)14-17-6-8-20-9-7-17/h3-9H,10-14H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35856697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).