[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone

C18H26N2O2 — CID 166572022

IUPAC[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)14-6-7-16(19-12-14)22-15-8-10-20(11-9-15)17(21)13-4-5-13/h6-7,12-13,15H,4-5,8-11H2,1-3H3
InChIKeyVWLXOUJUPCIMSK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.16
Rot. Bonds3

About [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone

[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 166572022) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
PubChem CID166572022
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)14-6-7-16(19-12-14)22-15-8-10-20(11-9-15)17(21)13-4-5-13/h6-7,12-13,15H,4-5,8-11H2,1-3H3
InChIKeyVWLXOUJUPCIMSK-UHFFFAOYSA-N
XLogP3.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
[(3R)-1,1-dioxothiolan-3-yl]-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100672798
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 97104983
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378

Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone (CID 166572022) is [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone is CC(C)(C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)nc1.
What is the InChIKey of [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is VWLXOUJUPCIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)14-6-7-16(19-12-14)22-15-8-10-20(11-9-15)17(21)13-4-5-13/h6-7,12-13,15H,4-5,8-11H2,1-3H3.
What are the key properties of [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 302.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 166572022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).