2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H29N3O2 — CID 51221093

IUPAC2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)CC2CC3CCC2C3)CC1)NC1CC1
InChIInChI=1S/C18H29N3O2/c22-17(19-16-3-4-16)12-20-5-7-21(8-6-20)18(23)11-15-10-13-1-2-14(15)9-13/h13-16H,1-12H2,(H,19,22)
InChIKeyQWNGYYIJVKJLFK-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 51221093) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID51221093
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)CC2CC3CCC2C3)CC1)NC1CC1
InChIInChI=1S/C18H29N3O2/c22-17(19-16-3-4-16)12-20-5-7-21(8-6-20)18(23)11-15-10-13-1-2-14(15)9-13/h13-16H,1-12H2,(H,19,22)
InChIKeyQWNGYYIJVKJLFK-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-3-cyclohexylpropanamide
CID 155514108
1-Piperidinecarboxamide, N-methyl-N-(3-methyl-2-norbornylmethyl)-
CID 210564
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114450
1-[2-[2-(2-Bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 53574221
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
CID 84583289
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxopyrrolidin-3-yl)acetamide
CID 126825569
4-[2-(2-Bicyclo[2.2.1]heptanyl)acetyl]-1-cyclopropylpiperazine-2-carboxamide
CID 132323088
(1R,4R)-3-N-(3-fluoropiperidin-4-yl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 122585883
N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 129134832
3-N-[(3S,4S)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 154474476
3-N-[(3R,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 154474477
3-N-[(3S,4R)-3-fluoropiperidin-4-yl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide
CID 172695951

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 51221093) is 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)CC2CC3CCC2C3)CC1)NC1CC1.
What is the InChIKey of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is QWNGYYIJVKJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-17(19-16-3-4-16)12-20-5-7-21(8-6-20)18(23)11-15-10-13-1-2-14(15)9-13/h13-16H,1-12H2,(H,19,22).
What are the key properties of 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 319.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 51221093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).