5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

C18H22ClN3O3 — CID 32527372

IUPAC5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1
InChIInChI=1S/C18H22ClN3O3/c1-11-14-9-12(19)3-4-15(14)25-17(11)18(24)21-13-5-7-22(8-6-13)10-16(23)20-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFSWJKBYPBJKJQE-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.33
Rot. Bonds4

About 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 32527372) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
PubChem CID32527372
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1
InChIInChI=1S/C18H22ClN3O3/c1-11-14-9-12(19)3-4-15(14)25-17(11)18(24)21-13-5-7-22(8-6-13)10-16(23)20-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFSWJKBYPBJKJQE-UHFFFAOYSA-N
XLogP2.33
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 16589755
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623310
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544572
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 32527372) is 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide is CNC(=O)CN1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1.
What is the InChIKey of 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is FSWJKBYPBJKJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11-14-9-12(19)3-4-15(14)25-17(11)18(24)21-13-5-7-22(8-6-13)10-16(23)20-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32527372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).