1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone

C15H23N3O — CID 5308516

IUPAC1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCCCC1
InChIInChI=1S/C15H23N3O/c19-15(17-9-5-2-6-10-17)12-18-11-13-7-3-1-4-8-14(13)16-18/h11H,1-10,12H2
InChIKeyXNYPKIYCKGWICS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.16
Rot. Bonds2

About 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone

1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (PubChem CID 5308516) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
PubChem CID5308516
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCCC2)N1CCCCC1
InChIInChI=1S/C15H23N3O/c19-15(17-9-5-2-6-10-17)12-18-11-13-7-3-1-4-8-14(13)16-18/h11H,1-10,12H2
InChIKeyXNYPKIYCKGWICS-UHFFFAOYSA-N
XLogP2.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-ylacetic acid
CID 3238266
1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
CID 5308315
ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
N-(3-morpholin-4-ylpropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309028
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309220
N-(2-morpholin-4-ylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309690
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
1-Pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308409
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309509
1-(4-Methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5307111
N-(2,3-dimethylcyclohexyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307263

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone (CID 5308516) is 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is O=C(Cn1cc2c(n1)CCCCC2)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
The InChIKey is XNYPKIYCKGWICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(17-9-5-2-6-10-17)12-18-11-13-7-3-1-4-8-14(13)16-18/h11H,1-10,12H2.
What are the key properties of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone?
1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone is sourced from PubChem (CID 5308516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).