naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C20H19N3O2 — CID 90558697

IUPACnaphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C20H19N3O2/c24-19(17-7-6-15-4-1-2-5-16(15)14-17)23-12-8-18(9-13-23)25-20-21-10-3-11-22-20/h1-7,10-11,14,18H,8-9,12-13H2
InChIKeyUQERVMPLJLVYNY-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.31
Rot. Bonds3

About naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558697) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558697
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namenaphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C20H19N3O2/c24-19(17-7-6-15-4-1-2-5-16(15)14-17)23-12-8-18(9-13-23)25-20-21-10-3-11-22-20/h1-7,10-11,14,18H,8-9,12-13H2
InChIKeyUQERVMPLJLVYNY-UHFFFAOYSA-N
XLogP3.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
naphthalen-2-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163039
[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 119071365
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one
CID 122568229
[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 155977046
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 90558697) is naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1ccc2ccccc2c1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is UQERVMPLJLVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(17-7-6-15-4-1-2-5-16(15)14-17)23-12-8-18(9-13-23)25-20-21-10-3-11-22-20/h1-7,10-11,14,18H,8-9,12-13H2.
What are the key properties of naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).