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

C22H27N5O3 — CID 92745827

IUPAC(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)c12
InChIInChI=1S/C22H27N5O3/c1-4-18-19-20(24-14(2)25-22(19)30-26-18)27-10-6-8-16(13-27)21(28)23-12-15-7-5-9-17(11-15)29-3/h5,7,9,11,16H,4,6,8,10,12-13H2,1-3H3,(H,23,28)/t16-/m1/s1
InChIKeyIMYMYYSXRNWACL-MRXNPFEDSA-N
MW409.49 g/mol
LogP3.03
Rot. Bonds6

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

(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92745827) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID92745827
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)c12
InChIInChI=1S/C22H27N5O3/c1-4-18-19-20(24-14(2)25-22(19)30-26-18)27-10-6-8-16(13-27)21(28)23-12-15-7-5-9-17(11-15)29-3/h5,7,9,11,16H,4,6,8,10,12-13H2,1-3H3,(H,23,28)/t16-/m1/s1
InChIKeyIMYMYYSXRNWACL-MRXNPFEDSA-N
XLogP3.03
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745801
(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-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 92745841
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 92745818
(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
(3S)-N-benzyl-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745850
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92745865
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408

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-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 92745827) is (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)c12.
What is the InChIKey of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IMYMYYSXRNWACL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-4-18-19-20(24-14(2)25-22(19)30-26-18)27-10-6-8-16(13-27)21(28)23-12-15-7-5-9-17(11-15)29-3/h5,7,9,11,16H,4,6,8,10,12-13H2,1-3H3,(H,23,28)/t16-/m1/s1.
What are the key properties of (3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.03, 6 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-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92745827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).