6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C22H26N2O3 — CID 11660622

IUPAC6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)NC1CCNCC1c1ccccc1)CCO2
InChIInChI=1S/C22H26N2O3/c1-26-16-7-8-21-18(13-16)17(10-12-27-21)22(25)24-20-9-11-23-14-19(20)15-5-3-2-4-6-15/h2-8,13,17,19-20,23H,9-12,14H2,1H3,(H,24,25)
InChIKeyLNCPXKHYWCCYEH-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.82
Rot. Bonds4

About 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 11660622) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID11660622
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)NC1CCNCC1c1ccccc1)CCO2
InChIInChI=1S/C22H26N2O3/c1-26-16-7-8-21-18(13-16)17(10-12-27-21)22(25)24-20-9-11-23-14-19(20)15-5-3-2-4-6-15/h2-8,13,17,19-20,23H,9-12,14H2,1H3,(H,24,25)
InChIKeyLNCPXKHYWCCYEH-UHFFFAOYSA-N
XLogP2.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 11660622) is 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is COc1ccc2c(c1)C(C(=O)NC1CCNCC1c1ccccc1)CCO2.
What is the InChIKey of 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is LNCPXKHYWCCYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-16-7-8-21-18(13-16)17(10-12-27-21)22(25)24-20-9-11-23-14-19(20)15-5-3-2-4-6-15/h2-8,13,17,19-20,23H,9-12,14H2,1H3,(H,24,25).
What are the key properties of 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 11660622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).