2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one

C18H26N2O2 — CID 126811975

IUPAC2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
SMILESCc1cnccc1OC1CCN(C(=O)C(C)(C)C2CC2)CC1
InChIInChI=1S/C18H26N2O2/c1-13-12-19-9-6-16(13)22-15-7-10-20(11-8-15)17(21)18(2,3)14-4-5-14/h6,9,12,14-15H,4-5,7-8,10-11H2,1-3H3
InChIKeyBZAJXTLQWIVRRD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.20
Rot. Bonds4

About 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one

2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one (PubChem CID 126811975) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
PubChem CID126811975
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
SMILESCc1cnccc1OC1CCN(C(=O)C(C)(C)C2CC2)CC1
InChIInChI=1S/C18H26N2O2/c1-13-12-19-9-6-16(13)22-15-7-10-20(11-8-15)17(21)18(2,3)14-4-5-14/h6,9,12,14-15H,4-5,7-8,10-11H2,1-3H3
InChIKeyBZAJXTLQWIVRRD-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 126816278
2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 67480242
tert-butyl N-[1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 121017862
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
(2S)-2-amino-3-methyl-1-[4-[[3-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67530658
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide
CID 136543374
1-[ethyl(methyl)amino]-3-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-2-ol
CID 138004521

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one (CID 126811975) is 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one is Cc1cnccc1OC1CCN(C(=O)C(C)(C)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one?
The InChIKey is BZAJXTLQWIVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-12-19-9-6-16(13)22-15-7-10-20(11-8-15)17(21)18(2,3)14-4-5-14/h6,9,12,14-15H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one?
2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126811975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).