(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone

C17H19N3O2 — CID 70702933

IUPAC(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(Oc3ncccn3)cc2)CC1
InChIInChI=1S/C17H19N3O2/c1-13-7-11-20(12-8-13)16(21)14-3-5-15(6-4-14)22-17-18-9-2-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyVQTFCAKKDYZCRQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.14
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone

(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone (PubChem CID 70702933) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
PubChem CID70702933
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(Oc3ncccn3)cc2)CC1
InChIInChI=1S/C17H19N3O2/c1-13-7-11-20(12-8-13)16(21)14-3-5-15(6-4-14)22-17-18-9-2-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyVQTFCAKKDYZCRQ-UHFFFAOYSA-N
XLogP3.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
CID 109166454
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
CID 56921174
[4-[bis[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
CID 87780599
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830519
N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
CID 50831942
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone (CID 70702933) is (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone is CC1CCN(C(=O)c2ccc(Oc3ncccn3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone?
The InChIKey is VQTFCAKKDYZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-7-11-20(12-8-13)16(21)14-3-5-15(6-4-14)22-17-18-9-2-10-19-17/h2-6,9-10,13H,7-8,11-12H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone?
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone is sourced from PubChem (CID 70702933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).