azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone

C18H23N5O — CID 155873362

IUPACazetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H23N5O/c24-17(22-10-4-11-22)18(23-12-3-9-20-23)6-13-21(14-7-18)15-16-5-1-2-8-19-16/h1-3,5,8-9,12H,4,6-7,10-11,13-15H2
InChIKeyOOPRPLZDBFUCOE-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.50
Rot. Bonds4

About azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone

azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone (PubChem CID 155873362) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
PubChem CID155873362
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Nameazetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H23N5O/c24-17(22-10-4-11-22)18(23-12-3-9-20-23)6-13-21(14-7-18)15-16-5-1-2-8-19-16/h1-3,5,8-9,12H,4,6-7,10-11,13-15H2
InChIKeyOOPRPLZDBFUCOE-UHFFFAOYSA-N
XLogP1.50
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
CID 155872661
[(2S)-2-methyloxolan-2-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126435893
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119947468
morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97450345
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
CID 155876835
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone (CID 155873362) is azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone is O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is OOPRPLZDBFUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17(22-10-4-11-22)18(23-12-3-9-20-23)6-13-21(14-7-18)15-16-5-1-2-8-19-16/h1-3,5,8-9,12H,4,6-7,10-11,13-15H2.
What are the key properties of azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone?
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155873362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).