2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone

C15H28N2O — CID 63163435

IUPAC2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-3-15(4-2)7-9-17(10-8-15)14(18)12-16-11-13-5-6-13/h13,16H,3-12H2,1-2H3
InChIKeyJBBBTYWUKYZOKW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds6

About 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone

2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone (PubChem CID 63163435) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
PubChem CID63163435
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C15H28N2O/c1-3-15(4-2)7-9-17(10-8-15)14(18)12-16-11-13-5-6-13/h13,16H,3-12H2,1-2H3
InChIKeyJBBBTYWUKYZOKW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119765768
2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
2-(cyclopropylmethylamino)-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103812610
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone (CID 63163435) is 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone is CCC1(CC)CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone?
The InChIKey is JBBBTYWUKYZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-15(4-2)7-9-17(10-8-15)14(18)12-16-11-13-5-6-13/h13,16H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63163435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).