2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide

C16H29N3O2 — CID 62807118

IUPAC2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
SMILESNCCC1CCCC(C(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C16H29N3O2/c17-7-4-12-2-1-3-14(10-12)16(21)19-8-5-13(6-9-19)11-15(18)20/h12-14H,1-11,17H2,(H2,18,20)
InChIKeyIYAUYNFRGTVWIL-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide

2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide (PubChem CID 62807118) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
PubChem CID62807118
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
SMILESNCCC1CCCC(C(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C16H29N3O2/c17-7-4-12-2-1-3-14(10-12)16(21)19-8-5-13(6-9-19)11-15(18)20/h12-14H,1-11,17H2,(H2,18,20)
InChIKeyIYAUYNFRGTVWIL-UHFFFAOYSA-N
XLogP1.26
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161750
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
CID 62806919
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858606
2-[1-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
CID 104692568
2-[1-(3-phenylcyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 56820326
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide (CID 62807118) is 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide is NCCC1CCCC(C(=O)N2CCC(CC(N)=O)CC2)C1.
What is the InChIKey of 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide?
The InChIKey is IYAUYNFRGTVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-7-4-12-2-1-3-14(10-12)16(21)19-8-5-13(6-9-19)11-15(18)20/h12-14H,1-11,17H2,(H2,18,20).
What are the key properties of 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide?
2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 62807118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).