[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C24H31N3O — CID 60527766

IUPAC[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c1
InChIInChI=1S/C24H31N3O/c1-20-7-5-10-23(17-20)26-15-13-25(14-16-26)19-21-8-6-9-22(18-21)24(28)27-11-3-2-4-12-27/h5-10,17-18H,2-4,11-16,19H2,1H3
InChIKeyGLRZMOSOPXZRDT-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.94
Rot. Bonds4

About [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 60527766) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID60527766
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c1
InChIInChI=1S/C24H31N3O/c1-20-7-5-10-23(17-20)26-15-13-25(14-16-26)19-21-8-6-9-22(18-21)24(28)27-11-3-2-4-12-27/h5-10,17-18H,2-4,11-16,19H2,1H3
InChIKeyGLRZMOSOPXZRDT-UHFFFAOYSA-N
XLogP3.94
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134045304
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134001201
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 60527766) is [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is Cc1cccc(N2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c1.
What is the InChIKey of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is GLRZMOSOPXZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-20-7-5-10-23(17-20)26-15-13-25(14-16-26)19-21-8-6-9-22(18-21)24(28)27-11-3-2-4-12-27/h5-10,17-18H,2-4,11-16,19H2,1H3.
What are the key properties of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 377.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 60527766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).