2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone

C16H31N3O — CID 79123117

IUPAC2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
SMILESCCNC1CCC(N(C)CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-17-14-7-9-15(10-8-14)18(2)13-16(20)19-11-5-4-6-12-19/h14-15,17H,3-13H2,1-2H3
InChIKeyJZJDUMYYPNJFSS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds5

About 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone

2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone (PubChem CID 79123117) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
PubChem CID79123117
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
SMILESCCNC1CCC(N(C)CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-17-14-7-9-15(10-8-14)18(2)13-16(20)19-11-5-4-6-12-19/h14-15,17H,3-13H2,1-2H3
InChIKeyJZJDUMYYPNJFSS-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
3,3-dimethyl-1-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]butan-1-one
CID 140912225
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone (CID 79123117) is 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone is CCNC1CCC(N(C)CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone?
The InChIKey is JZJDUMYYPNJFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-17-14-7-9-15(10-8-14)18(2)13-16(20)19-11-5-4-6-12-19/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone?
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone has a molecular weight of 281.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 79123117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).