N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide

C16H27N3O2 — CID 67074263

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
SMILESCCC(=O)N1CCN(CC(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C16H27N3O2/c1-2-16(21)19-7-5-18(6-8-19)11-15(20)17-14-10-12-3-4-13(14)9-12/h12-14H,2-11H2,1H3,(H,17,20)
InChIKeyBZTWCGHPVWUQFU-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.85
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide (PubChem CID 67074263) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
PubChem CID67074263
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
SMILESCCC(=O)N1CCN(CC(=O)NC2CC3CCC2C3)CC1
InChIInChI=1S/C16H27N3O2/c1-2-16(21)19-7-5-18(6-8-19)11-15(20)17-14-10-12-3-4-13(14)9-12/h12-14H,2-11H2,1H3,(H,17,20)
InChIKeyBZTWCGHPVWUQFU-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 21383086
N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24845342
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
N-(2-bicyclo[2.2.1]heptanyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881437
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 40823711
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
ethyl 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioyl]piperazine-1-carboxylate
CID 11919231
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043906
2-[4-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide
CID 98684839
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide (CID 67074263) is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide is CCC(=O)N1CCN(CC(=O)NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The InChIKey is BZTWCGHPVWUQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-16(21)19-7-5-18(6-8-19)11-15(20)17-14-10-12-3-4-13(14)9-12/h12-14H,2-11H2,1H3,(H,17,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 67074263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).