(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide

C24H29N3O4 — CID 39978753

IUPAC(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCOc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)Nc3ccccc3)C1)O[C@H](C)C2
InChIInChI=1S/C24H29N3O4/c1-3-30-22-13-18-12-16(2)31-21(18)14-20(22)26-23(28)17-8-7-11-27(15-17)24(29)25-19-9-5-4-6-10-19/h4-6,9-10,13-14,16-17H,3,7-8,11-12,15H2,1-2H3,(H,25,29)(H,26,28)/t16-,17-/m1/s1
InChIKeyKGCQFBNQXGDBOU-IAGOWNOFSA-N
MW423.51 g/mol
LogP4.29
Rot. Bonds5

About (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 39978753) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID39978753
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCOc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)Nc3ccccc3)C1)O[C@H](C)C2
InChIInChI=1S/C24H29N3O4/c1-3-30-22-13-18-12-16(2)31-21(18)14-20(22)26-23(28)17-8-7-11-27(15-17)24(29)25-19-9-5-4-6-10-19/h4-6,9-10,13-14,16-17H,3,7-8,11-12,15H2,1-2H3,(H,25,29)(H,26,28)/t16-,17-/m1/s1
InChIKeyKGCQFBNQXGDBOU-IAGOWNOFSA-N
XLogP4.29
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42895657
1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide
CID 60579414
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529762
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide
CID 103794323
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
2-(2,3-dihydroindol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
CID 17487278
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
3-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42925498
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
(2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide
CID 120785022

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 39978753) is (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide is CCOc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)Nc3ccccc3)C1)O[C@H](C)C2.
What is the InChIKey of (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is KGCQFBNQXGDBOU-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-30-22-13-18-12-16(2)31-21(18)14-20(22)26-23(28)17-8-7-11-27(15-17)24(29)25-19-9-5-4-6-10-19/h4-6,9-10,13-14,16-17H,3,7-8,11-12,15H2,1-2H3,(H,25,29)(H,26,28)/t16-,17-/m1/s1.
What are the key properties of (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 39978753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).