2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

C17H31N3O — CID 63255496

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCCC1C(C)N)C1=CCCCC1
InChIInChI=1S/C17H31N3O/c1-3-20(15-9-5-4-6-10-15)17(21)13-19-12-8-7-11-16(19)14(2)18/h9,14,16H,3-8,10-13,18H2,1-2H3
InChIKeyUGYPNFUDPUOXCI-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 63255496) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID63255496
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCCC1C(C)N)C1=CCCCC1
InChIInChI=1S/C17H31N3O/c1-3-20(15-9-5-4-6-10-15)17(21)13-19-12-8-7-11-16(19)14(2)18/h9,14,16H,3-8,10-13,18H2,1-2H3
InChIKeyUGYPNFUDPUOXCI-UHFFFAOYSA-N
XLogP2.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441126
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 78979240
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 102681909
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 103442062
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462455
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
N-(cyclohexen-1-yl)-N-ethyl-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82755230
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 115315425
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61235935
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 102681908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 63255496) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CCCCC1C(C)N)C1=CCCCC1.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is UGYPNFUDPUOXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-20(15-9-5-4-6-10-15)17(21)13-19-12-8-7-11-16(19)14(2)18/h9,14,16H,3-8,10-13,18H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 293.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 63255496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).