N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C19H23ClN6O — CID 138994359

IUPACN-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCC(C)n1cnnc1C1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C19H23ClN6O/c1-13(2)26-12-22-24-19(26)15-4-3-7-25(10-15)11-18(27)23-16-6-5-14(9-21)17(20)8-16/h5-6,8,12-13,15H,3-4,7,10-11H2,1-2H3,(H,23,27)
InChIKeyRFDBSZAKMFARCX-UHFFFAOYSA-N
MW386.89 g/mol
LogP3.20
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 138994359) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID138994359
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCC(C)n1cnnc1C1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C19H23ClN6O/c1-13(2)26-12-22-24-19(26)15-4-3-7-25(10-15)11-18(27)23-16-6-5-14(9-21)17(20)8-16/h5-6,8,12-13,15H,3-4,7,10-11H2,1-2H3,(H,23,27)
InChIKeyRFDBSZAKMFARCX-UHFFFAOYSA-N
XLogP3.20
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675538
ethyl (3S)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8014435
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9377990
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316750
N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
CID 136562069
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207918
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 138994359) is N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CC(C)n1cnnc1C1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is RFDBSZAKMFARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-13(2)26-12-22-24-19(26)15-4-3-7-25(10-15)11-18(27)23-16-6-5-14(9-21)17(20)8-16/h5-6,8,12-13,15H,3-4,7,10-11H2,1-2H3,(H,23,27).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 386.89 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 138994359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).