2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one

C18H34N2O — CID 119644529

IUPAC2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCNCC1CCN(C(=O)C(CC)CC2CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-3-17(13-15-7-5-6-8-15)18(21)20-11-9-16(10-12-20)14-19-4-2/h15-17,19H,3-14H2,1-2H3
InChIKeyNUTGLAWQUAQQMR-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.44
Rot. Bonds7

About 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one

2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 119644529) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID119644529
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCNCC1CCN(C(=O)C(CC)CC2CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-3-17(13-15-7-5-6-8-15)18(21)20-11-9-16(10-12-20)14-19-4-2/h15-17,19H,3-14H2,1-2H3
InChIKeyNUTGLAWQUAQQMR-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Analyze 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119543004
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
2-cyclohexyl-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119647793
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
CID 120819076
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
2-[(3-bromophenyl)methyl]-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119647862

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one (CID 119644529) is 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one is CCNCC1CCN(C(=O)C(CC)CC2CCCC2)CC1.
What is the InChIKey of 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is NUTGLAWQUAQQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-17(13-15-7-5-6-8-15)18(21)20-11-9-16(10-12-20)14-19-4-2/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one?
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119644529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).