[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

C16H28ClN3O3 — CID 119683329

IUPAC[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCN(C(=O)C3CCCO3)CC2)CCCC1
InChIInChI=1S/C16H27N3O3.ClH/c17-12-16(5-1-2-6-16)15(21)19-9-7-18(8-10-19)14(20)13-4-3-11-22-13;/h13H,1-12,17H2;1H
InChIKeyLQRZUUXSIGTYMM-UHFFFAOYSA-N
MW345.87 g/mol
LogP0.78
Rot. Bonds3

About [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (PubChem CID 119683329) has the molecular formula C16H28ClN3O3 and a molecular weight of 345.87 g/mol. Its IUPAC name is [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
PubChem CID119683329
Molecular FormulaC16H28ClN3O3
Molecular Weight345.87 g/mol
Exact Mass345.18
IUPAC Name[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCN(C(=O)C3CCCO3)CC2)CCCC1
InChIInChI=1S/C16H27N3O3.ClH/c17-12-16(5-1-2-6-16)15(21)19-9-7-18(8-10-19)14(20)13-4-3-11-22-13;/h13H,1-12,17H2;1H
InChIKeyLQRZUUXSIGTYMM-UHFFFAOYSA-N
XLogP0.78
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 81494206
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203715
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657

Frequently Asked Questions

What is the IUPAC name of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (CID 119683329) is [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is Cl.NCC1(C(=O)N2CCN(C(=O)C3CCCO3)CC2)CCCC1.
What is the InChIKey of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The InChIKey is LQRZUUXSIGTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.ClH/c17-12-16(5-1-2-6-16)15(21)19-9-7-18(8-10-19)14(20)13-4-3-11-22-13;/h13H,1-12,17H2;1H.
What are the key properties of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119683329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).