(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone

C15H23N3O2 — CID 16789157

IUPAC(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(OC)c(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-6-17-7-9-18(10-8-17)15(19)12-4-5-14(20-2)13(16)11-12/h4-5,11H,3,6-10,16H2,1-2H3
InChIKeyPKBYZWLZBVJHPA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds4

About (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone

(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 16789157) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID16789157
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(OC)c(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-6-17-7-9-18(10-8-17)15(19)12-4-5-14(20-2)13(16)11-12/h4-5,11H,3,6-10,16H2,1-2H3
InChIKeyPKBYZWLZBVJHPA-UHFFFAOYSA-N
XLogP1.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
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

(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
[4-(2-chloroethyl)piperazin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732443
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
(4-hexoxy-3-methoxyphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56544785
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone (CID 16789157) is (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc(OC)c(N)c2)CC1.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is PKBYZWLZBVJHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-6-17-7-9-18(10-8-17)15(19)12-4-5-14(20-2)13(16)11-12/h4-5,11H,3,6-10,16H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 16789157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).