5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide

C16H23ClN2O3 — CID 120600434

IUPAC5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCOCCOc1ccc(Cl)cc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C16H23ClN2O3/c1-11-9-13(5-6-18-11)19-16(20)14-10-12(17)3-4-15(14)22-8-7-21-2/h3-4,10-11,13,18H,5-9H2,1-2H3,(H,19,20)
InChIKeyJJEWWPXINSXRAI-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.24
Rot. Bonds6

About 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide

5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120600434) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120600434
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCOCCOc1ccc(Cl)cc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C16H23ClN2O3/c1-11-9-13(5-6-18-11)19-16(20)14-10-12(17)3-4-15(14)22-8-7-21-2/h3-4,10-11,13,18H,5-9H2,1-2H3,(H,19,20)
InChIKeyJJEWWPXINSXRAI-UHFFFAOYSA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120599845
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120601228
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598082

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide (CID 120600434) is 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide is COCCOc1ccc(Cl)cc1C(=O)NC1CCNC(C)C1.
What is the InChIKey of 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is JJEWWPXINSXRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11-9-13(5-6-18-11)19-16(20)14-10-12(17)3-4-15(14)22-8-7-21-2/h3-4,10-11,13,18H,5-9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide?
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 326.82 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120600434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).