[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C16H31ClN2O2 — CID 119546537

IUPAC[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(CCOC)CCCC2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-17-13-14-5-10-18(11-6-14)15(19)16(9-12-20-2)7-3-4-8-16;/h14,17H,3-13H2,1-2H3;1H
InChIKeyKILIKDLZUHORKA-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.46
Rot. Bonds6

About [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119546537) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119546537
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(CCOC)CCCC2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-17-13-14-5-10-18(11-6-14)15(19)16(9-12-20-2)7-3-4-8-16;/h14,17H,3-13H2,1-2H3;1H
InChIKeyKILIKDLZUHORKA-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119542778
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
[1-(aminomethyl)cyclopentyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63973299

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119546537) is [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)C2(CCOC)CCCC2)CC1.Cl.
What is the InChIKey of [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KILIKDLZUHORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-17-13-14-5-10-18(11-6-14)15(19)16(9-12-20-2)7-3-4-8-16;/h14,17H,3-13H2,1-2H3;1H.
What are the key properties of [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119546537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).