(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide

C24H34N6O3 — CID 125019309

IUPAC(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)[C@@H](C(=O)N(C)C)C2)cc1
InChIInChI=1S/C24H34N6O3/c1-27(2)24(32)21-16-28(18-8-10-20(33-3)11-9-18)14-15-29(21)17-23(31)26-22-12-13-25-30(22)19-6-4-5-7-19/h8-13,19,21H,4-7,14-17H2,1-3H3,(H,26,31)/t21-/m1/s1
InChIKeyXUZMVAXXBCQZGB-OAQYLSRUSA-N
MW454.58 g/mol
LogP2.22
Rot. Bonds7

About (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide

(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 125019309) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID125019309
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)[C@@H](C(=O)N(C)C)C2)cc1
InChIInChI=1S/C24H34N6O3/c1-27(2)24(32)21-16-28(18-8-10-20(33-3)11-9-18)14-15-29(21)17-23(31)26-22-12-13-25-30(22)19-6-4-5-7-19/h8-13,19,21H,4-7,14-17H2,1-3H3,(H,26,31)/t21-/m1/s1
InChIKeyXUZMVAXXBCQZGB-OAQYLSRUSA-N
XLogP2.22
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide with MolForge

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Related Compounds

4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 132780211
(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 129455255
(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910318
N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 128980971
N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9204558
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666713
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772836
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46613977
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 24816610
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide (CID 125019309) is (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide is COc1ccc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)[C@@H](C(=O)N(C)C)C2)cc1.
What is the InChIKey of (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is XUZMVAXXBCQZGB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-27(2)24(32)21-16-28(18-8-10-20(33-3)11-9-18)14-15-29(21)17-23(31)26-22-12-13-25-30(22)19-6-4-5-7-19/h8-13,19,21H,4-7,14-17H2,1-3H3,(H,26,31)/t21-/m1/s1.
What are the key properties of (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide?
(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 125019309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).