piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone

C19H22N4O — CID 56865869

IUPACpiperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1N1CC(c2ccncc2)C1)N1CCCCC1
InChIInChI=1S/C19H22N4O/c24-19(22-11-2-1-3-12-22)17-5-4-8-21-18(17)23-13-16(14-23)15-6-9-20-10-7-15/h4-10,16H,1-3,11-14H2
InChIKeyJLWBTPGLBGEVMQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.71
Rot. Bonds3

About piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone

piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone (PubChem CID 56865869) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone
PubChem CID56865869
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Namepiperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1N1CC(c2ccncc2)C1)N1CCCCC1
InChIInChI=1S/C19H22N4O/c24-19(22-11-2-1-3-12-22)17-5-4-8-21-18(17)23-13-16(14-23)15-6-9-20-10-7-15/h4-10,16H,1-3,11-14H2
InChIKeyJLWBTPGLBGEVMQ-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 86283173
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
[2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72918907
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
(1S,5R)-6-(2-methoxyethyl)-3-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70780167
(1R,5S)-6-(2-methoxyethyl)-3-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133129110
[2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133379329
[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 155915049

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone (CID 56865869) is piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone is O=C(c1cccnc1N1CC(c2ccncc2)C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone?
The InChIKey is JLWBTPGLBGEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(22-11-2-1-3-12-22)17-5-4-8-21-18(17)23-13-16(14-23)15-6-9-20-10-7-15/h4-10,16H,1-3,11-14H2.
What are the key properties of piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone?
piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 56865869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).