(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C19H23N3O2 — CID 120639741

IUPAC(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(N)ccc3C)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-14-6-7-15(20)12-18(14)19(23)22-10-8-21(9-11-22)16-4-3-5-17(13-16)24-2/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyMGFIYRLPRWSSTP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.55
Rot. Bonds3

About (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120639741) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120639741
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(N)ccc3C)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-14-6-7-15(20)12-18(14)19(23)22-10-8-21(9-11-22)16-4-3-5-17(13-16)24-2/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyMGFIYRLPRWSSTP-UHFFFAOYSA-N
XLogP2.55
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 120626340
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
4-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 120641426
(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(5-amino-2-methylphenyl)-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626677
(5-amino-2-methylphenyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647636

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 120639741) is (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(N)ccc3C)CC2)c1.
What is the InChIKey of (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MGFIYRLPRWSSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-6-7-15(20)12-18(14)19(23)22-10-8-21(9-11-22)16-4-3-5-17(13-16)24-2/h3-7,12-13H,8-11,20H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120639741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).