2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C22H35N3O3 — CID 46957646

IUPAC2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(CCN1CCOCC1)C1CCN(C)CC1)CCCC2
InChIInChI=1S/C22H35N3O3/c1-17-21(19-5-3-4-6-20(19)28-17)22(26)25(18-7-9-23(2)10-8-18)12-11-24-13-15-27-16-14-24/h18H,3-16H2,1-2H3
InChIKeyLUADXKRNMNUOOS-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 46957646) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID46957646
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(CCN1CCOCC1)C1CCN(C)CC1)CCCC2
InChIInChI=1S/C22H35N3O3/c1-17-21(19-5-3-4-6-20(19)28-17)22(26)25(18-7-9-23(2)10-8-18)12-11-24-13-15-27-16-14-24/h18H,3-16H2,1-2H3
InChIKeyLUADXKRNMNUOOS-UHFFFAOYSA-N
XLogP2.34
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 46957646) is 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)N(CCN1CCOCC1)C1CCN(C)CC1)CCCC2.
What is the InChIKey of 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is LUADXKRNMNUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-17-21(19-5-3-4-6-20(19)28-17)22(26)25(18-7-9-23(2)10-8-18)12-11-24-13-15-27-16-14-24/h18H,3-16H2,1-2H3.
What are the key properties of 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46957646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).