5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

C15H20ClN3O2 — CID 64667455

IUPAC5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C15H20ClN3O2/c1-3-17-13-6-4-10(16)8-12(13)15(21)18-11-5-7-14(20)19(2)9-11/h4,6,8,11,17H,3,5,7,9H2,1-2H3,(H,18,21)
InChIKeyNRNWESXLBKIHEL-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.12
Rot. Bonds4

About 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 64667455) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID64667455
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C15H20ClN3O2/c1-3-17-13-6-4-10(16)8-12(13)15(21)18-11-5-7-14(20)19(2)9-11/h4,6,8,11,17H,3,5,7,9H2,1-2H3,(H,18,21)
InChIKeyNRNWESXLBKIHEL-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 64667455) is 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CCNc1ccc(Cl)cc1C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is NRNWESXLBKIHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-17-13-6-4-10(16)8-12(13)15(21)18-11-5-7-14(20)19(2)9-11/h4,6,8,11,17H,3,5,7,9H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 309.80 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 64667455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).