5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride

C17H22Cl2N2O3 — CID 120890544

IUPAC5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc3cc(Cl)ccc3o2)CCNCC1.Cl
InChIInChI=1S/C17H21ClN2O3.ClH/c1-22-11-17(4-6-19-7-5-17)10-20-16(21)15-9-12-8-13(18)2-3-14(12)23-15;/h2-3,8-9,19H,4-7,10-11H2,1H3,(H,20,21);1H
InChIKeyGNGXGPWTIVWCFY-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120890544) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120890544
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc3cc(Cl)ccc3o2)CCNCC1.Cl
InChIInChI=1S/C17H21ClN2O3.ClH/c1-22-11-17(4-6-19-7-5-17)10-20-16(21)15-9-12-8-13(18)2-3-14(12)23-15;/h2-3,8-9,19H,4-7,10-11H2,1H3,(H,20,21);1H
InChIKeyGNGXGPWTIVWCFY-UHFFFAOYSA-N
XLogP3.25
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
5-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 120888903
5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889744
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892133
3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 120888763
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 120889014
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 120890544) is 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride is COCC1(CNC(=O)c2cc3cc(Cl)ccc3o2)CCNCC1.Cl.
What is the InChIKey of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is GNGXGPWTIVWCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3.ClH/c1-22-11-17(4-6-19-7-5-17)10-20-16(21)15-9-12-8-13(18)2-3-14(12)23-15;/h2-3,8-9,19H,4-7,10-11H2,1H3,(H,20,21);1H.
What are the key properties of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride?
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 373.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120890544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).