N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C22H31N7O2 — CID 112834941

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C22H31N7O2/c1-27-16-23-26-21(27)17-7-13-29(14-8-17)22(31)25-19-9-11-28(12-10-19)15-20(30)24-18-5-3-2-4-6-18/h2-6,16-17,19H,7-15H2,1H3,(H,24,30)(H,25,31)
InChIKeyGKLIMUIAFJNEPN-UHFFFAOYSA-N
MW425.54 g/mol
LogP1.81
Rot. Bonds5

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 112834941) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID112834941
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C22H31N7O2/c1-27-16-23-26-21(27)17-7-13-29(14-8-17)22(31)25-19-9-11-28(12-10-19)15-20(30)24-18-5-3-2-4-6-18/h2-6,16-17,19H,7-15H2,1H3,(H,24,30)(H,25,31)
InChIKeyGKLIMUIAFJNEPN-UHFFFAOYSA-N
XLogP1.81
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 95123399
4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 77091525
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 112834941) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cn1cnnc1C1CCN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is GKLIMUIAFJNEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-27-16-23-26-21(27)17-7-13-29(14-8-17)22(31)25-19-9-11-28(12-10-19)15-20(30)24-18-5-3-2-4-6-18/h2-6,16-17,19H,7-15H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 112834941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).