(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C20H31N3O2 — CID 122257240

IUPAC(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCCC(Oc3ncccn3)C2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-3-6-16-8-10-17(11-9-16)19(24)23-14-4-7-18(15-23)25-20-21-12-5-13-22-20/h5,12-13,16-18H,2-4,6-11,14-15H2,1H3
InChIKeyBHVWILZVJGCSJR-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.84
Rot. Bonds6

About (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122257240) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122257240
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCCC(Oc3ncccn3)C2)CC1
InChIInChI=1S/C20H31N3O2/c1-2-3-6-16-8-10-17(11-9-16)19(24)23-14-4-7-18(15-23)25-20-21-12-5-13-22-20/h5,12-13,16-18H,2-4,6-11,14-15H2,1H3
InChIKeyBHVWILZVJGCSJR-UHFFFAOYSA-N
XLogP3.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639058
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
CID 122268218
(4-butylcyclohexyl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161250
3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
CID 122257446
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122257240) is (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is CCCCC1CCC(C(=O)N2CCCC(Oc3ncccn3)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is BHVWILZVJGCSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-3-6-16-8-10-17(11-9-16)19(24)23-14-4-7-18(15-23)25-20-21-12-5-13-22-20/h5,12-13,16-18H,2-4,6-11,14-15H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122257240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).