[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone

C17H20N6O2 — CID 155877184

IUPAC[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C17H20N6O2/c24-15(14-3-7-18-13-19-14)21-11-4-17(5-12-21,23-10-1-6-20-23)16(25)22-8-2-9-22/h1,3,6-7,10,13H,2,4-5,8-9,11-12H2
InChIKeyDUIKYALLAPGXBB-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.54
Rot. Bonds3

About [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone

[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 155877184) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID155877184
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1
InChIInChI=1S/C17H20N6O2/c24-15(14-3-7-18-13-19-14)21-11-4-17(5-12-21,23-10-1-6-20-23)16(25)22-8-2-9-22/h1,3,6-7,10,13H,2,4-5,8-9,11-12H2
InChIKeyDUIKYALLAPGXBB-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 155873362
1-(pyrimidine-4-carbonyl)piperidin-4-one
CID 130934366
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
(E)-1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 155872921
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 155877859
azetidin-1-yl-[1-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidin-4-yl]methanone
CID 155872661
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-pyrazol-1-ylcyclobutyl)methanone
CID 166313321
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114517

Frequently Asked Questions

What is the IUPAC name of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone (CID 155877184) is [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1.
What is the InChIKey of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is DUIKYALLAPGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15(14-3-7-18-13-19-14)21-11-4-17(5-12-21,23-10-1-6-20-23)16(25)22-8-2-9-22/h1,3,6-7,10,13H,2,4-5,8-9,11-12H2.
What are the key properties of [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone?
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 340.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 155877184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).