(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone

C23H31N3O4 — CID 121378819

IUPAC(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCCC2Cc2nc(C(C)(C)O)c(C)o2)c(C2CC2)n1
InChIInChI=1S/C23H31N3O4/c1-14-21(23(2,3)28)25-19(30-14)13-16-7-5-6-12-26(16)22(27)17-10-11-18(29-4)24-20(17)15-8-9-15/h10-11,15-16,28H,5-9,12-13H2,1-4H3
InChIKeyUIXPENHEWIPICY-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.73
Rot. Bonds6

About (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone

(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 121378819) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID121378819
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCCC2Cc2nc(C(C)(C)O)c(C)o2)c(C2CC2)n1
InChIInChI=1S/C23H31N3O4/c1-14-21(23(2,3)28)25-19(30-14)13-16-7-5-6-12-26(16)22(27)17-10-11-18(29-4)24-20(17)15-8-9-15/h10-11,15-16,28H,5-9,12-13H2,1-4H3
InChIKeyUIXPENHEWIPICY-UHFFFAOYSA-N
XLogP3.73
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(2,2-difluoroethyl)phenyl]-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
CID 121378864
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
CID 121378814
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 121378807
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
CID 121378832
tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate
CID 86629001
(2-methoxy-4-methylphenyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 96574706
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (CID 121378819) is (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCCC2Cc2nc(C(C)(C)O)c(C)o2)c(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is UIXPENHEWIPICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-14-21(23(2,3)28)25-19(30-14)13-16-7-5-6-12-26(16)22(27)17-10-11-18(29-4)24-20(17)15-8-9-15/h10-11,15-16,28H,5-9,12-13H2,1-4H3.
What are the key properties of (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 413.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 121378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).