(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide

C24H23ClN4O2 — CID 51661841

IUPAC(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1
InChIInChI=1S/C24H23ClN4O2/c25-18-9-7-16(8-10-18)11-12-26-24(30)17-4-3-13-29(14-17)23-22-21(27-15-28-23)19-5-1-2-6-20(19)31-22/h1-2,5-10,15,17H,3-4,11-14H2,(H,26,30)/t17-/m1/s1
InChIKeyFOUNOMCREVQVTL-QGZVFWFLSA-N
MW434.93 g/mol
LogP4.60
Rot. Bonds5

About (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide

(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 51661841) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID51661841
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1
InChIInChI=1S/C24H23ClN4O2/c25-18-9-7-16(8-10-18)11-12-26-24(30)17-4-3-13-29(14-17)23-22-21(27-15-28-23)19-5-1-2-6-20(19)31-22/h1-2,5-10,15,17H,3-4,11-14H2,(H,26,30)/t17-/m1/s1
InChIKeyFOUNOMCREVQVTL-QGZVFWFLSA-N
XLogP4.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326963
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92897876
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50835015
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(1-benzylpiperidin-4-yl)piperidine-3-carboxamide
CID 51661850
(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide
CID 51661845
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427
(3S)-N-[2-(4-chlorophenyl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 97428720
1-[2-(4-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 20920478
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569

Frequently Asked Questions

What is the IUPAC name of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide (CID 51661841) is (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1.
What is the InChIKey of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is FOUNOMCREVQVTL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c25-18-9-7-16(8-10-18)11-12-26-24(30)17-4-3-13-29(14-17)23-22-21(27-15-28-23)19-5-1-2-6-20(19)31-22/h1-2,5-10,15,17H,3-4,11-14H2,(H,26,30)/t17-/m1/s1.
What are the key properties of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 51661841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).