3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide

C14H14Cl2N2O2 — CID 76976955

IUPAC3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1cc(Cl)cc(Cl)c1)NC1CCC(=O)NC1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)1-3-14(20)18-12-2-4-13(19)17-8-12/h1,3,5-7,12H,2,4,8H2,(H,17,19)(H,18,20)
InChIKeyLLAOKNUTCVDOEW-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.40
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide

3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (PubChem CID 76976955) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
PubChem CID76976955
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1cc(Cl)cc(Cl)c1)NC1CCC(=O)NC1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)1-3-14(20)18-12-2-4-13(19)17-8-12/h1,3,5-7,12H,2,4,8H2,(H,17,19)(H,18,20)
InChIKeyLLAOKNUTCVDOEW-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976919
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976877
3-(5-bromothiophen-2-yl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944857
3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944811
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
N-(6-oxopiperidin-3-yl)pyrrolidine-3-carboxamide
CID 63663368
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (CID 76976955) is 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is O=C(C=Cc1cc(Cl)cc(Cl)c1)NC1CCC(=O)NC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The InChIKey is LLAOKNUTCVDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)1-3-14(20)18-12-2-4-13(19)17-8-12/h1,3,5-7,12H,2,4,8H2,(H,17,19)(H,18,20).
What are the key properties of 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide has a molecular weight of 313.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 76976955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).