(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C19H22ClN3O2 — CID 120729058

IUPAC(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESC=CCOc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-2-12-24-17-7-5-15(6-8-17)19(23)22-11-10-21-14-18(22)16-4-3-9-20-13-16;/h2-9,13,18,21H,1,10-12,14H2;1H
InChIKeyZZXJAIGXTCDQOG-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.85
Rot. Bonds5

About (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120729058) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120729058
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESC=CCOc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-2-12-24-17-7-5-15(6-8-17)19(23)22-11-10-21-14-18(22)16-4-3-9-20-13-16;/h2-9,13,18,21H,1,10-12,14H2;1H
InChIKeyZZXJAIGXTCDQOG-UHFFFAOYSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729059
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
[4-[2-(diethylamino)ethoxy]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730306
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729626
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120729058) is (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is C=CCOc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.Cl.
What is the InChIKey of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is ZZXJAIGXTCDQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-2-12-24-17-7-5-15(6-8-17)19(23)22-11-10-21-14-18(22)16-4-3-9-20-13-16;/h2-9,13,18,21H,1,10-12,14H2;1H.
What are the key properties of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).