[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone

C18H34N2O — CID 80550886

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCCNCC1CCN(C(=O)C2(CC(C)C)CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-19-14-16-7-11-20(12-8-16)17(21)18(13-15(2)3)9-5-6-10-18/h15-16,19H,4-14H2,1-3H3
InChIKeyJRWVYBKRSTVGSL-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.44
Rot. Bonds6

About [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 80550886) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID80550886
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCCNCC1CCN(C(=O)C2(CC(C)C)CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-19-14-16-7-11-20(12-8-16)17(21)18(13-15(2)3)9-5-6-10-18/h15-16,19H,4-14H2,1-3H3
InChIKeyJRWVYBKRSTVGSL-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone
CID 119645218
[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 82688976
N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 75425461
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 107160172
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone (CID 80550886) is [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone is CCNCC1CCN(C(=O)C2(CC(C)C)CCCC2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is JRWVYBKRSTVGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-19-14-16-7-11-20(12-8-16)17(21)18(13-15(2)3)9-5-6-10-18/h15-16,19H,4-14H2,1-3H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 294.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 80550886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).