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

C23H27BrN4O3 — CID 92866603

IUPAC(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(c2nc(C)nc3oc(C)c(C)c23)C1
InChIInChI=1S/C23H27BrN4O3/c1-13-14(2)31-23-20(13)21(26-15(3)27-23)28-9-5-6-16(12-28)22(29)25-11-17-10-18(24)7-8-19(17)30-4/h7-8,10,16H,5-6,9,11-12H2,1-4H3,(H,25,29)/t16-/m1/s1
InChIKeyYHYBBMXPWKIIPA-MRXNPFEDSA-N
MW487.40 g/mol
LogP4.45
Rot. Bonds5

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

(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92866603) has the molecular formula C23H27BrN4O3 and a molecular weight of 487.40 g/mol. Its IUPAC name is (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92866603
Molecular FormulaC23H27BrN4O3
Molecular Weight487.40 g/mol
Exact Mass486.13
IUPAC Name(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(c2nc(C)nc3oc(C)c(C)c23)C1
InChIInChI=1S/C23H27BrN4O3/c1-13-14(2)31-23-20(13)21(26-15(3)27-23)28-9-5-6-16(12-28)22(29)25-11-17-10-18(24)7-8-19(17)30-4/h7-8,10,16H,5-6,9,11-12H2,1-4H3,(H,25,29)/t16-/m1/s1
InChIKeyYHYBBMXPWKIIPA-MRXNPFEDSA-N
XLogP4.45
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290291
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290253
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92866358
(3S)-N-[2-(furan-2-yl)ethyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92887871
(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92866603) is (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(c2nc(C)nc3oc(C)c(C)c23)C1.
What is the InChIKey of (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is YHYBBMXPWKIIPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27BrN4O3/c1-13-14(2)31-23-20(13)21(26-15(3)27-23)28-9-5-6-16(12-28)22(29)25-11-17-10-18(24)7-8-19(17)30-4/h7-8,10,16H,5-6,9,11-12H2,1-4H3,(H,25,29)/t16-/m1/s1.
What are the key properties of (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 487.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92866603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).