(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone

C24H31N3O2 — CID 113079051

IUPAC(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(N4CCC(C)CC4)cc3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-19-10-12-25(13-11-19)21-6-8-22(9-7-21)26-14-16-27(17-15-26)24(28)20-4-3-5-23(18-20)29-2/h3-9,18-19H,10-17H2,1-2H3
InChIKeyDLZSDFRLCHUEFA-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.89
Rot. Bonds4

About (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone (PubChem CID 113079051) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
PubChem CID113079051
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(N4CCC(C)CC4)cc3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-19-10-12-25(13-11-19)21-6-8-22(9-7-21)26-14-16-27(17-15-26)24(28)20-4-3-5-23(18-20)29-2/h3-9,18-19H,10-17H2,1-2H3
InChIKeyDLZSDFRLCHUEFA-UHFFFAOYSA-N
XLogP3.89
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
3-methoxybenzoic acid;(3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17368444
(3-methoxyphenyl)-[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]methanone
CID 55574383
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone (CID 113079051) is (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(c3ccc(N4CCC(C)CC4)cc3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone?
The InChIKey is DLZSDFRLCHUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-10-12-25(13-11-19)21-6-8-22(9-7-21)26-14-16-27(17-15-26)24(28)20-4-3-5-23(18-20)29-2/h3-9,18-19H,10-17H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone has a molecular weight of 393.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113079051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).