2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

C16H29N3O — CID 79994225

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CC(C)CC(N)C1)C1=CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-19(15-7-5-4-6-8-15)16(20)12-18-10-13(2)9-14(17)11-18/h7,13-14H,3-6,8-12,17H2,1-2H3
InChIKeyMBQPYJFRNFVECH-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.96
Rot. Bonds4

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 79994225) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID79994225
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CC(C)CC(N)C1)C1=CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-19(15-7-5-4-6-8-15)16(20)12-18-10-13(2)9-14(17)11-18/h7,13-14H,3-6,8-12,17H2,1-2H3
InChIKeyMBQPYJFRNFVECH-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79994189
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61235935
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 78955983
N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80703389
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462455
N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
CID 115314324
1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351316
3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324787

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 79994225) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CC(C)CC(N)C1)C1=CCCCC1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is MBQPYJFRNFVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-19(15-7-5-4-6-8-15)16(20)12-18-10-13(2)9-14(17)11-18/h7,13-14H,3-6,8-12,17H2,1-2H3.
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 279.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 79994225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).