2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide

C13H23N3O2 — CID 55116713

IUPAC2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
SMILESNC1CCCC(CC(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C13H23N3O2/c14-10-4-1-3-9(7-10)8-12(17)16-11-5-2-6-15-13(11)18/h9-11H,1-8,14H2,(H,15,18)(H,16,17)
InChIKeyBGVXWHALBRKTBC-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.29
Rot. Bonds3

About 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide

2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide (PubChem CID 55116713) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
PubChem CID55116713
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
SMILESNC1CCCC(CC(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C13H23N3O2/c14-10-4-1-3-9(7-10)8-12(17)16-11-5-2-6-15-13(11)18/h9-11H,1-8,14H2,(H,15,18)(H,16,17)
InChIKeyBGVXWHALBRKTBC-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 62783041
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79278000
2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
4-amino-3-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 103155744
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 55033831

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide (CID 55116713) is 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide is NC1CCCC(CC(=O)NC2CCCNC2=O)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide?
The InChIKey is BGVXWHALBRKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-10-4-1-3-9(7-10)8-12(17)16-11-5-2-6-15-13(11)18/h9-11H,1-8,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide?
2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 55116713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).