(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone

C24H31N3O2 — CID 110637980

IUPAC(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C2(c3ccccc3)CCN(C)CC2)CC1
InChIInChI=1S/C24H31N3O2/c1-25-14-12-24(13-15-25,20-8-4-3-5-9-20)27-18-16-26(17-19-27)23(28)21-10-6-7-11-22(21)29-2/h3-11H,12-19H2,1-2H3
InChIKeyKZWMKZMDNROSOO-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.07
Rot. Bonds4

About (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 110637980) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID110637980
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C2(c3ccccc3)CCN(C)CC2)CC1
InChIInChI=1S/C24H31N3O2/c1-25-14-12-24(13-15-25,20-8-4-3-5-9-20)27-18-16-26(17-19-27)23(28)21-10-6-7-11-22(21)29-2/h3-11H,12-19H2,1-2H3
InChIKeyKZWMKZMDNROSOO-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate
CID 110409495
[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110409450
[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 6466089
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone
CID 7353310
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one
CID 68984658
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone (CID 110637980) is (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(C2(c3ccccc3)CCN(C)CC2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is KZWMKZMDNROSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-25-14-12-24(13-15-25,20-8-4-3-5-9-20)27-18-16-26(17-19-27)23(28)21-10-6-7-11-22(21)29-2/h3-11H,12-19H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 393.53 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110637980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).