4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one

C19H22N4O2 — CID 136930395

IUPAC4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one
SMILESO=C(c1cccc(-c2cc(=O)[nH]cn2)c1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C19H22N4O2/c24-18-10-17(20-13-21-18)14-5-4-6-15(9-14)19(25)23-11-16(12-23)22-7-2-1-3-8-22/h4-6,9-10,13,16H,1-3,7-8,11-12H2,(H,20,21,24)
InChIKeyHKHNTUQDXWFTET-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.75
Rot. Bonds3

About 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one

4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 136930395) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one
PubChem CID136930395
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one
SMILESO=C(c1cccc(-c2cc(=O)[nH]cn2)c1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C19H22N4O2/c24-18-10-17(20-13-21-18)14-5-4-6-15(9-14)19(25)23-11-16(12-23)22-7-2-1-3-8-22/h4-6,9-10,13,16H,1-3,7-8,11-12H2,(H,20,21,24)
InChIKeyHKHNTUQDXWFTET-UHFFFAOYSA-N
XLogP1.75
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(6-aminopyrimidin-4-yl)phenyl]methanone
CID 125158709
(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
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4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582046
(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
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CID 66202818
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one (CID 136930395) is 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one is O=C(c1cccc(-c2cc(=O)[nH]cn2)c1)N1CC(N2CCCCC2)C1.
What is the InChIKey of 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is HKHNTUQDXWFTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-10-17(20-13-21-18)14-5-4-6-15(9-14)19(25)23-11-16(12-23)22-7-2-1-3-8-22/h4-6,9-10,13,16H,1-3,7-8,11-12H2,(H,20,21,24).
What are the key properties of 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one?
4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 338.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136930395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).