N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C18H28N2O2 — CID 46981632

IUPACN,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(C)CCN1CCCCC1)CCCC2
InChIInChI=1S/C18H28N2O2/c1-14-17(15-8-4-5-9-16(15)22-14)18(21)19(2)12-13-20-10-6-3-7-11-20/h3-13H2,1-2H3
InChIKeyGBSAREGGMQWCEO-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.02
Rot. Bonds4

About N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 46981632) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID46981632
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(C)CCN1CCCCC1)CCCC2
InChIInChI=1S/C18H28N2O2/c1-14-17(15-8-4-5-9-16(15)22-14)18(21)19(2)12-13-20-10-6-3-7-11-20/h3-13H2,1-2H3
InChIKeyGBSAREGGMQWCEO-UHFFFAOYSA-N
XLogP3.02
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 46981632) is N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)N(C)CCN1CCCCC1)CCCC2.
What is the InChIKey of N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is GBSAREGGMQWCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-17(15-8-4-5-9-16(15)22-14)18(21)19(2)12-13-20-10-6-3-7-11-20/h3-13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46981632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).