N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C17H24N2O2 — CID 79698342

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H24N2O2/c1-2-19(12-13-5-8-18-9-6-13)17(20)15-3-4-16-14(11-15)7-10-21-16/h3-4,11,13,18H,2,5-10,12H2,1H3
InChIKeyYCTFNCUGUXPDGS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.08
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 79698342) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID79698342
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H24N2O2/c1-2-19(12-13-5-8-18-9-6-13)17(20)15-3-4-16-14(11-15)7-10-21-16/h3-4,11,13,18H,2,5-10,12H2,1H3
InChIKeyYCTFNCUGUXPDGS-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 79697262
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
N-(cyclopropylmethyl)-N-ethyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382644
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79704796
methyl (2R)-2-[[4-[2,3-dihydro-1-benzofuran-5-carbonyl(piperidin-4-ylmethyl)amino]pyrimidin-2-yl]amino]propanoate
CID 58702496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 79698342) is N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CCN(CC1CCNCC1)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is YCTFNCUGUXPDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-19(12-13-5-8-18-9-6-13)17(20)15-3-4-16-14(11-15)7-10-21-16/h3-4,11,13,18H,2,5-10,12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 79698342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).