(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C18H21N3O — CID 35856605

IUPAC(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H21N3O/c1-15-2-4-17(5-3-15)18(22)21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3
InChIKeyUDRLDJIKWQJBJM-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.35
Rot. Bonds3

About (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 35856605) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID35856605
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H21N3O/c1-15-2-4-17(5-3-15)18(22)21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3
InChIKeyUDRLDJIKWQJBJM-UHFFFAOYSA-N
XLogP2.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17408822
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 39950040
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
(4-methylphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331387
(4-chloro-3-methylphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70719369
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 74234746
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 35856605) is (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UDRLDJIKWQJBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-15-2-4-17(5-3-15)18(22)21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 295.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35856605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).