(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C22H28ClN3O3 — CID 120729126

IUPAC(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2c2cccnc2)ccc1OC1CCCC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-27-21-13-16(8-9-20(21)28-18-6-2-3-7-18)22(26)25-12-11-24-15-19(25)17-5-4-10-23-14-17;/h4-5,8-10,13-14,18-19,24H,2-3,6-7,11-12,15H2,1H3;1H
InChIKeyNQOPRIFRYOGRQU-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.62
Rot. Bonds5

About (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120729126) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120729126
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2c2cccnc2)ccc1OC1CCCC1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-27-21-13-16(8-9-20(21)28-18-6-2-3-7-18)22(26)25-12-11-24-15-19(25)17-5-4-10-23-14-17;/h4-5,8-10,13-14,18-19,24H,2-3,6-7,11-12,15H2,1H3;1H
InChIKeyNQOPRIFRYOGRQU-UHFFFAOYSA-N
XLogP3.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-cyclopentyloxy-3-methoxyphenyl)-(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

(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120730640
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729626
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572061
2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731152
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730890

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120729126) is (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is COc1cc(C(=O)N2CCNCC2c2cccnc2)ccc1OC1CCCC1.Cl.
What is the InChIKey of (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is NQOPRIFRYOGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-27-21-13-16(8-9-20(21)28-18-6-2-3-7-18)22(26)25-12-11-24-15-19(25)17-5-4-10-23-14-17;/h4-5,8-10,13-14,18-19,24H,2-3,6-7,11-12,15H2,1H3;1H.
What are the key properties of (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120729126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).