(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

C23H29N5O3 — CID 92745841

IUPAC(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4OC)C3)c12
InChIInChI=1S/C23H29N5O3/c1-4-18-20-21(25-15(2)26-23(20)31-27-18)28-13-7-9-17(14-28)22(29)24-12-11-16-8-5-6-10-19(16)30-3/h5-6,8,10,17H,4,7,9,11-14H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKeyLKZGUFLAPZIAFP-QGZVFWFLSA-N
MW423.52 g/mol
LogP3.07
Rot. Bonds7

About (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 92745841) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID92745841
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4OC)C3)c12
InChIInChI=1S/C23H29N5O3/c1-4-18-20-21(25-15(2)26-23(20)31-27-18)28-13-7-9-17(14-28)22(29)24-12-11-16-8-5-6-10-19(16)30-3/h5-6,8,10,17H,4,7,9,11-14H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKeyLKZGUFLAPZIAFP-QGZVFWFLSA-N
XLogP3.07
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[2-(2-chlorophenyl)ethyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745844
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745835
(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92745827
N-[2-(2-chlorophenyl)ethyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282643
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745801
(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 92745818
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92745768
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
CID 92745762
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282574
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745889
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 92723534
(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866603

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 92745841) is (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4OC)C3)c12.
What is the InChIKey of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is LKZGUFLAPZIAFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-18-20-21(25-15(2)26-23(20)31-27-18)28-13-7-9-17(14-28)22(29)24-12-11-16-8-5-6-10-19(16)30-3/h5-6,8,10,17H,4,7,9,11-14H2,1-3H3,(H,24,29)/t17-/m1/s1.
What are the key properties of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92745841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).