N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C15H19ClN3O+ — CID 2655081

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-4-6-19(7-5-11)10-15(20)18-13-3-2-12(9-17)14(16)8-13/h2-3,8,11H,4-7,10H2,1H3,(H,18,20)/p+1
InChIKeyGFPNRGBURNHBNS-UHFFFAOYSA-O
MW292.79 g/mol
LogP1.46
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 2655081) has the molecular formula C15H19ClN3O+ and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID2655081
Molecular FormulaC15H19ClN3O+
Molecular Weight292.79 g/mol
Exact Mass292.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-4-6-19(7-5-11)10-15(20)18-13-3-2-12(9-17)14(16)8-13/h2-3,8,11H,4-7,10H2,1H3,(H,18,20)/p+1
InChIKeyGFPNRGBURNHBNS-UHFFFAOYSA-O
XLogP1.46
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-nitrophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 7438996
N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2685105
N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-(3-chloro-4-cyanophenyl)-3-methyl-5-oxohexanamide
CID 144704139
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655
(2S)-N-(3-chloro-4-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 9275660
N-(3-chloro-4-cyanophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63715589

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 2655081) is N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is GFPNRGBURNHBNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18ClN3O/c1-11-4-6-19(7-5-11)10-15(20)18-13-3-2-12(9-17)14(16)8-13/h2-3,8,11H,4-7,10H2,1H3,(H,18,20)/p+1.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 292.79 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2655081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).