1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C18H25N5O2 — CID 50971066

IUPAC1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-13-16(14(2)22(3)21-13)5-6-17(24)23-11-7-15(8-12-23)25-18-19-9-4-10-20-18/h4,9-10,15H,5-8,11-12H2,1-3H3
InChIKeyJQKDZSGDPFCZLQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 50971066) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID50971066
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-13-16(14(2)22(3)21-13)5-6-17(24)23-11-7-15(8-12-23)25-18-19-9-4-10-20-18/h4,9-10,15H,5-8,11-12H2,1-3H3
InChIKeyJQKDZSGDPFCZLQ-UHFFFAOYSA-N
XLogP1.83
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 50971066) is 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is JQKDZSGDPFCZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-16(14(2)22(3)21-13)5-6-17(24)23-11-7-15(8-12-23)25-18-19-9-4-10-20-18/h4,9-10,15H,5-8,11-12H2,1-3H3.
What are the key properties of 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 50971066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).