(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide

C19H26N6O2 — CID 124957917

IUPAC(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C19H26N6O2/c1-14-16(11-23(2)22-14)21-18(26)13-25-9-8-24(12-17(25)19(20)27)10-15-6-4-3-5-7-15/h3-7,11,17H,8-10,12-13H2,1-2H3,(H2,20,27)(H,21,26)/t17-/m1/s1
InChIKeyGCLVBRWOESZOHJ-QGZVFWFLSA-N
MW370.46 g/mol
LogP0.34
Rot. Bonds6

About (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide

(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide (PubChem CID 124957917) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
PubChem CID124957917
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C19H26N6O2/c1-14-16(11-23(2)22-14)21-18(26)13-25-9-8-24(12-17(25)19(20)27)10-15-6-4-3-5-7-15/h3-7,11,17H,8-10,12-13H2,1-2H3,(H2,20,27)(H,21,26)/t17-/m1/s1
InChIKeyGCLVBRWOESZOHJ-QGZVFWFLSA-N
XLogP0.34
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide with MolForge

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Related Compounds

4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 110122356
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 128984584
(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124990413
(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125005444
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124972580
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177
(2S)-4-benzyl-N-methyl-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazine-2-carboxamide
CID 124963276
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide (CID 124957917) is (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide is Cc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide?
The InChIKey is GCLVBRWOESZOHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14-16(11-23(2)22-14)21-18(26)13-25-9-8-24(12-17(25)19(20)27)10-15-6-4-3-5-7-15/h3-7,11,17H,8-10,12-13H2,1-2H3,(H2,20,27)(H,21,26)/t17-/m1/s1.
What are the key properties of (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide?
(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide is sourced from PubChem (CID 124957917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).