2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide

C15H25N3O2 — CID 47124968

IUPAC2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C15H25N3O2/c1-16-14(19)10-17-4-6-18(7-5-17)15(20)13-9-11-2-3-12(13)8-11/h11-13H,2-10H2,1H3,(H,16,19)
InChIKeyGUUIGBJOJNULGA-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.31
Rot. Bonds3

About 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 47124968) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
PubChem CID47124968
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C15H25N3O2/c1-16-14(19)10-17-4-6-18(7-5-17)15(20)13-9-11-2-3-12(13)8-11/h11-13H,2-10H2,1H3,(H,16,19)
InChIKeyGUUIGBJOJNULGA-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide 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

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043906
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2-bicyclo[2.2.1]heptanyl)methanone
CID 61364523
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
CID 61366100
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
CID 63337376
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 67074263
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide (CID 47124968) is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is GUUIGBJOJNULGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-14(19)10-17-4-6-18(7-5-17)15(20)13-9-11-2-3-12(13)8-11/h11-13H,2-10H2,1H3,(H,16,19).
What are the key properties of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 279.38 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47124968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).