N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C17H24N2O3 — CID 120890389

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCOCC1(CNC(=O)c2ccc3c(c2)COC3)CCNCC1
InChIInChI=1S/C17H24N2O3/c1-21-12-17(4-6-18-7-5-17)11-19-16(20)13-2-3-14-9-22-10-15(14)8-13/h2-3,8,18H,4-7,9-12H2,1H3,(H,19,20)
InChIKeyXPUXBCRXAQHCJE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.46
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 120890389) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID120890389
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCOCC1(CNC(=O)c2ccc3c(c2)COC3)CCNCC1
InChIInChI=1S/C17H24N2O3/c1-21-12-17(4-6-18-7-5-17)11-19-16(20)13-2-3-14-9-22-10-15(14)8-13/h2-3,8,18H,4-7,9-12H2,1H3,(H,19,20)
InChIKeyXPUXBCRXAQHCJE-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120887230
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120888271
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 120890389) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is COCC1(CNC(=O)c2ccc3c(c2)COC3)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is XPUXBCRXAQHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-12-17(4-6-18-7-5-17)11-19-16(20)13-2-3-14-9-22-10-15(14)8-13/h2-3,8,18H,4-7,9-12H2,1H3,(H,19,20).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 120890389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).