[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride

C19H28ClN3O4 — CID 119278586

IUPAC[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1OC.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-25-15-6-5-14(13-16(15)26-2)17(23)21-9-11-22(12-10-21)18(24)19(20)7-3-4-8-19;/h5-6,13H,3-4,7-12,20H2,1-2H3;1H
InChIKeySMCALPGEYGAWLB-UHFFFAOYSA-N
MW397.90 g/mol
LogP1.68
Rot. Bonds4

About [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride (PubChem CID 119278586) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
PubChem CID119278586
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1OC.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-25-15-6-5-14(13-16(15)26-2)17(23)21-9-11-22(12-10-21)18(24)19(20)7-3-4-8-19;/h5-6,13H,3-4,7-12,20H2,1-2H3;1H
InChIKeySMCALPGEYGAWLB-UHFFFAOYSA-N
XLogP1.68
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;hydrochloride
CID 119736799
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108543820
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride (CID 119278586) is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride is COc1ccc(C(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1OC.Cl.
What is the InChIKey of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride?
The InChIKey is SMCALPGEYGAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.ClH/c1-25-15-6-5-14(13-16(15)26-2)17(23)21-9-11-22(12-10-21)18(24)19(20)7-3-4-8-19;/h5-6,13H,3-4,7-12,20H2,1-2H3;1H.
What are the key properties of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride?
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119278586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).