[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C19H24N4O — CID 35856681

IUPAC[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H24N4O/c1-21(2)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyJFTRVBUFNKTVCB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.11
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 35856681) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID35856681
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H24N4O/c1-21(2)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyJFTRVBUFNKTVCB-UHFFFAOYSA-N
XLogP2.11
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 35438430
N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226742
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110741465
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 20972211
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55756639
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110804228
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 35856681) is [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JFTRVBUFNKTVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21(2)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35856681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).