2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide

C15H18ClN3O — CID 62505287

IUPAC2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(C#N)(NC(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c1-19-7-5-15(11-17,6-8-19)18-14(20)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,18,20)
InChIKeyDWCCJVHORFEVND-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.99
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide

2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide (PubChem CID 62505287) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
PubChem CID62505287
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(C#N)(NC(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c1-19-7-5-15(11-17,6-8-19)18-14(20)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,18,20)
InChIKeyDWCCJVHORFEVND-UHFFFAOYSA-N
XLogP1.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
4-(3-chloroanilino)-1-methylpiperidine-4-carbonitrile
CID 54887111
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea
CID 61124171
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide
CID 71874213
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide (CID 62505287) is 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide is CN1CCC(C#N)(NC(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
The InChIKey is DWCCJVHORFEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19-7-5-15(11-17,6-8-19)18-14(20)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,18,20).
What are the key properties of 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide?
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide has a molecular weight of 291.78 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 62505287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).