3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one

C16H30N2O — CID 80551568

IUPAC3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCNCC1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-2-17-13-15-9-11-18(12-10-15)16(19)8-7-14-5-3-4-6-14/h14-15,17H,2-13H2,1H3
InChIKeyZNPJTGMYDAOCNG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds6

About 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 80551568) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID80551568
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCNCC1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-2-17-13-15-9-11-18(12-10-15)16(19)8-7-14-5-3-4-6-14/h14-15,17H,2-13H2,1H3
InChIKeyZNPJTGMYDAOCNG-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 108922113
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one (CID 80551568) is 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one is CCNCC1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZNPJTGMYDAOCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-17-13-15-9-11-18(12-10-15)16(19)8-7-14-5-3-4-6-14/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 80551568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).