2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide

C15H15Cl2N3O2 — CID 108558978

IUPAC2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-1-2-12(13(17)9-10)15(22)20-7-4-11(5-8-20)19-14(21)3-6-18/h1-2,9,11H,3-5,7-8H2,(H,19,21)
InChIKeyYEWPKBONPBNWNO-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.63
Rot. Bonds3

About 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide

2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108558978) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108558978
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-1-2-12(13(17)9-10)15(22)20-7-4-11(5-8-20)19-14(21)3-6-18/h1-2,9,11H,3-5,7-8H2,(H,19,21)
InChIKeyYEWPKBONPBNWNO-UHFFFAOYSA-N
XLogP2.63
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108561475
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
2-(4-chlorophenyl)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108566655

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide (CID 108558978) is 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide is N#CCC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is YEWPKBONPBNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-10-1-2-12(13(17)9-10)15(22)20-7-4-11(5-8-20)19-14(21)3-6-18/h1-2,9,11H,3-5,7-8H2,(H,19,21).
What are the key properties of 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 340.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108558978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).