(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C19H29ClN2O3 — CID 120572061

IUPAC(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNC(C)C2C)ccc1OC1CCCC1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-13-14(2)21(11-10-20-13)19(22)15-8-9-17(18(12-15)23-3)24-16-6-4-5-7-16;/h8-9,12-14,16,20H,4-7,10-11H2,1-3H3;1H
InChIKeyYTZIEEGSGGLTRB-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.26
Rot. Bonds4

About (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120572061) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120572061
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNC(C)C2C)ccc1OC1CCCC1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-13-14(2)21(11-10-20-13)19(22)15-8-9-17(18(12-15)23-3)24-16-6-4-5-7-16;/h8-9,12-14,16,20H,4-7,10-11H2,1-3H3;1H
InChIKeyYTZIEEGSGGLTRB-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopentyloxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571016
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
CID 124686970
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729126
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(3S,4S)-1-(4-cyclopentyloxy-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953526
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
(4-cyclopentyloxy-3-methoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55979698
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120572061) is (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is COc1cc(C(=O)N2CCNC(C)C2C)ccc1OC1CCCC1.Cl.
What is the InChIKey of (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YTZIEEGSGGLTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-13-14(2)21(11-10-20-13)19(22)15-8-9-17(18(12-15)23-3)24-16-6-4-5-7-16;/h8-9,12-14,16,20H,4-7,10-11H2,1-3H3;1H.
What are the key properties of (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120572061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).