4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide

C22H27N3O3 — CID 154033614

IUPAC4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)CC(CN1CCC(Nc3ccccc3)(C(N)=O)CC1)O2
InChIInChI=1S/C22H27N3O3/c1-27-18-7-8-20-16(13-18)14-19(28-20)15-25-11-9-22(10-12-25,21(23)26)24-17-5-3-2-4-6-17/h2-8,13,19,24H,9-12,14-15H2,1H3,(H2,23,26)
InChIKeyLBRDBQVXUSEUDC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.43
Rot. Bonds6

About 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide

4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 154033614) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID154033614
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)CC(CN1CCC(Nc3ccccc3)(C(N)=O)CC1)O2
InChIInChI=1S/C22H27N3O3/c1-27-18-7-8-20-16(13-18)14-19(28-20)15-25-11-9-22(10-12-25,21(23)26)24-17-5-3-2-4-6-17/h2-8,13,19,24H,9-12,14-15H2,1H3,(H2,23,26)
InChIKeyLBRDBQVXUSEUDC-UHFFFAOYSA-N
XLogP2.43
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide (CID 154033614) is 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide is COc1ccc2c(c1)CC(CN1CCC(Nc3ccccc3)(C(N)=O)CC1)O2.
What is the InChIKey of 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LBRDBQVXUSEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-18-7-8-20-16(13-18)14-19(28-20)15-25-11-9-22(10-12-25,21(23)26)24-17-5-3-2-4-6-17/h2-8,13,19,24H,9-12,14-15H2,1H3,(H2,23,26).
What are the key properties of 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide?
4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 154033614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).