2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone

C15H21N3O3 — CID 121161498

IUPAC2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCOc1nccc(OC2CCN(C(=O)CC3CC3)CC2)n1
InChIInChI=1S/C15H21N3O3/c1-20-15-16-7-4-13(17-15)21-12-5-8-18(9-6-12)14(19)10-11-2-3-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyBVLCHVWFGJCCNT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds5

About 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone

2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone (PubChem CID 121161498) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
PubChem CID121161498
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCOc1nccc(OC2CCN(C(=O)CC3CC3)CC2)n1
InChIInChI=1S/C15H21N3O3/c1-20-15-16-7-4-13(17-15)21-12-5-8-18(9-6-12)14(19)10-11-2-3-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyBVLCHVWFGJCCNT-UHFFFAOYSA-N
XLogP1.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161177
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
(4-butylcyclohexyl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161250
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone (CID 121161498) is 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone is COc1nccc(OC2CCN(C(=O)CC3CC3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is BVLCHVWFGJCCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-15-16-7-4-13(17-15)21-12-5-8-18(9-6-12)14(19)10-11-2-3-11/h4,7,11-12H,2-3,5-6,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121161498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).