1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one

C24H29N3O2 — CID 134040966

IUPAC1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one
SMILESCc1cccc(CN2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-19-5-4-6-20(17-19)18-25-13-15-26(16-14-25)24(29)21-8-10-22(11-9-21)27-12-3-2-7-23(27)28/h4-6,8-11,17H,2-3,7,12-16,18H2,1H3
InChIKeyIMEXPDXABPIGIU-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one

1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one (PubChem CID 134040966) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one
PubChem CID134040966
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one
SMILESCc1cccc(CN2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-19-5-4-6-20(17-19)18-25-13-15-26(16-14-25)24(29)21-8-10-22(11-9-21)27-12-3-2-7-23(27)28/h4-6,8-11,17H,2-3,7,12-16,18H2,1H3
InChIKeyIMEXPDXABPIGIU-UHFFFAOYSA-N
XLogP3.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 70779876
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247
1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 55432883
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
1,3-benzodioxol-5-yl-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23762555
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one (CID 134040966) is 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one is Cc1cccc(CN2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)c1.
What is the InChIKey of 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one?
The InChIKey is IMEXPDXABPIGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-5-4-6-20(17-19)18-25-13-15-26(16-14-25)24(29)21-8-10-22(11-9-21)27-12-3-2-7-23(27)28/h4-6,8-11,17H,2-3,7,12-16,18H2,1H3.
What are the key properties of 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one?
1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one is sourced from PubChem (CID 134040966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).