3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

C15H18Cl2N2O3 — CID 75494351

IUPAC3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCN1CC(NC(=O)CCOc2cc(Cl)cc(Cl)c2)CCC1=O
InChIInChI=1S/C15H18Cl2N2O3/c1-19-9-12(2-3-15(19)21)18-14(20)4-5-22-13-7-10(16)6-11(17)8-13/h6-8,12H,2-5,9H2,1H3,(H,18,20)
InChIKeyNQGMVFGSKAXUGK-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.50
Rot. Bonds5

About 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide

3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (PubChem CID 75494351) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
PubChem CID75494351
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCN1CC(NC(=O)CCOc2cc(Cl)cc(Cl)c2)CCC1=O
InChIInChI=1S/C15H18Cl2N2O3/c1-19-9-12(2-3-15(19)21)18-14(20)4-5-22-13-7-10(16)6-11(17)8-13/h6-8,12H,2-5,9H2,1H3,(H,18,20)
InChIKeyNQGMVFGSKAXUGK-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 126442191
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 81094264
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide (CID 75494351) is 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is CN1CC(NC(=O)CCOc2cc(Cl)cc(Cl)c2)CCC1=O.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
The InChIKey is NQGMVFGSKAXUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-19-9-12(2-3-15(19)21)18-14(20)4-5-22-13-7-10(16)6-11(17)8-13/h6-8,12H,2-5,9H2,1H3,(H,18,20).
What are the key properties of 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide?
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide has a molecular weight of 345.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 75494351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).