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

C18H26ClN3O3 — CID 119291542

IUPAC[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-24-15-6-4-5-14(13-15)16(22)20-9-11-21(12-10-20)17(23)18(19)7-2-3-8-18;/h4-6,13H,2-3,7-12,19H2,1H3;1H
InChIKeyIUBMMIIHKPSVNK-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.67
Rot. Bonds3

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

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride (PubChem CID 119291542) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
PubChem CID119291542
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-24-15-6-4-5-14(13-15)16(22)20-9-11-21(12-10-20)17(23)18(19)7-2-3-8-18;/h4-6,13H,2-3,7-12,19H2,1H3;1H
InChIKeyIUBMMIIHKPSVNK-UHFFFAOYSA-N
XLogP1.67
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
CID 119278586
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
CID 70732555
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;hydrochloride
CID 119736799
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride (CID 119291542) is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride is COc1cccc(C(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)c1.Cl.
What is the InChIKey of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
The InChIKey is IUBMMIIHKPSVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-24-15-6-4-5-14(13-15)16(22)20-9-11-21(12-10-20)17(23)18(19)7-2-3-8-18;/h4-6,13H,2-3,7-12,19H2,1H3;1H.
What are the key properties of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride?
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119291542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).