2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one

C19H25NO — CID 79536535

IUPAC2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC1Cc2ccccc21
InChIInChI=1S/C19H25NO/c21-19-10-5-8-17(19)18-9-3-4-11-20(18)13-15-12-14-6-1-2-7-16(14)15/h1-2,6-7,15,17-18H,3-5,8-13H2
InChIKeyAHYNOBUMRNKXRX-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.55
Rot. Bonds3

About 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79536535) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79536535
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC1Cc2ccccc21
InChIInChI=1S/C19H25NO/c21-19-10-5-8-17(19)18-9-3-4-11-20(18)13-15-12-14-6-1-2-7-16(14)15/h1-2,6-7,15,17-18H,3-5,8-13H2
InChIKeyAHYNOBUMRNKXRX-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one with MolForge

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
CID 66395265
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(bromomethyl)azepane
CID 116638369
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
2-[1-(cyclobutylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553179
2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one
CID 79537619
2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79541000
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 114930256
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine
CID 66396255
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82866833
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827
2-[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543803
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914520

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one (CID 79536535) is 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1CC1Cc2ccccc21.
What is the InChIKey of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is AHYNOBUMRNKXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-19-10-5-8-17(19)18-9-3-4-11-20(18)13-15-12-14-6-1-2-7-16(14)15/h1-2,6-7,15,17-18H,3-5,8-13H2.
What are the key properties of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 283.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79536535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).