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

C18H31N3O2 — CID 134043906

IUPAC2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C18H31N3O2/c1-3-13(2)19-17(22)12-20-6-8-21(9-7-20)18(23)16-11-14-4-5-15(16)10-14/h13-16H,3-12H2,1-2H3,(H,19,22)
InChIKeySFAFTGGFPQXGAM-UHFFFAOYSA-N
MW321.46 g/mol
LogP1.48
Rot. Bonds5

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

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide (PubChem CID 134043906) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
PubChem CID134043906
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C18H31N3O2/c1-3-13(2)19-17(22)12-20-6-8-21(9-7-20)18(23)16-11-14-4-5-15(16)10-14/h13-16H,3-12H2,1-2H3,(H,19,22)
InChIKeySFAFTGGFPQXGAM-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
[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
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113999
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 98124247
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
CID 63337376
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
CID 61366100
[(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
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2-bicyclo[2.2.1]heptanyl)methanone
CID 61364523
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 67074263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide (CID 134043906) is 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCN(C(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is SFAFTGGFPQXGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-3-13(2)19-17(22)12-20-6-8-21(9-7-20)18(23)16-11-14-4-5-15(16)10-14/h13-16H,3-12H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide?
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide has a molecular weight of 321.46 g/mol, XLogP of 1.48, 5 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-butan-2-ylacetamide is sourced from PubChem (CID 134043906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).