(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C19H24ClN3O2 — CID 120731539

IUPAC(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCCCOc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-2-11-24-17-7-3-5-15(12-17)19(23)22-10-9-21-14-18(22)16-6-4-8-20-13-16;/h3-8,12-13,18,21H,2,9-11,14H2,1H3;1H
InChIKeyFTSCDCICELNNNO-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.08
Rot. Bonds5

About (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120731539) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120731539
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCCCOc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-2-11-24-17-7-3-5-15(12-17)19(23)22-10-9-21-14-18(22)16-6-4-8-20-13-16;/h3-8,12-13,18,21H,2,9-11,14H2,1H3;1H
InChIKeyFTSCDCICELNNNO-UHFFFAOYSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-propoxyphenyl)-(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

3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
1-(4-propoxyphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 120732200
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 120731577
[4-[2-(diethylamino)ethoxy]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730306
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482

Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120731539) is (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is CCCOc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.Cl.
What is the InChIKey of (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is FTSCDCICELNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-2-11-24-17-7-3-5-15(12-17)19(23)22-10-9-21-14-18(22)16-6-4-8-20-13-16;/h3-8,12-13,18,21H,2,9-11,14H2,1H3;1H.
What are the key properties of (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120731539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).