2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

C19H27N3O — CID 19572710

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H27N3O/c23-19(12-18-11-15-3-4-17(18)10-15)22-8-6-21(7-9-22)14-16-2-1-5-20-13-16/h1-2,5,13,15,17-18H,3-4,6-12,14H2
InChIKeyKULJTSDTCLLFNA-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 19572710) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID19572710
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H27N3O/c23-19(12-18-11-15-3-4-17(18)10-15)22-8-6-21(7-9-22)14-16-2-1-5-20-13-16/h1-2,5,13,15,17-18H,3-4,6-12,14H2
InChIKeyKULJTSDTCLLFNA-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(1-adamantyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 19572572
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395212
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 98752256
3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 118986171
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
N-[4-[1-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011053
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 51144911
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045018
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one
CID 45210614

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (CID 19572710) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is O=C(CC1CC2CCC1C2)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is KULJTSDTCLLFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(12-18-11-15-3-4-17(18)10-15)22-8-6-21(7-9-22)14-16-2-1-5-20-13-16/h1-2,5,13,15,17-18H,3-4,6-12,14H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 313.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 19572710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).