2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide

C24H34N6O3 — CID 167748291

IUPAC2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide
SMILESCCC(C)C(NC(=O)Nc1cc(C)ccc1C)C(=O)NC1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C24H34N6O3/c1-6-16(3)21(27-24(33)26-19-14-15(2)9-10-17(19)4)22(31)25-18-8-7-12-30(23(18)32)20-11-13-29(5)28-20/h9-11,13-14,16,18,21H,6-8,12H2,1-5H3,(H,25,31)(H2,26,27,33)
InChIKeyZJRKEFZQLWTIKT-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.88
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide

2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide (PubChem CID 167748291) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide
PubChem CID167748291
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide
SMILESCCC(C)C(NC(=O)Nc1cc(C)ccc1C)C(=O)NC1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C24H34N6O3/c1-6-16(3)21(27-24(33)26-19-14-15(2)9-10-17(19)4)22(31)25-18-8-7-12-30(23(18)32)20-11-13-29(5)28-20/h9-11,13-14,16,18,21H,6-8,12H2,1-5H3,(H,25,31)(H2,26,27,33)
InChIKeyZJRKEFZQLWTIKT-UHFFFAOYSA-N
XLogP2.88
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide (CID 167748291) is 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide is CCC(C)C(NC(=O)Nc1cc(C)ccc1C)C(=O)NC1CCCN(c2ccn(C)n2)C1=O.
What is the InChIKey of 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide?
The InChIKey is ZJRKEFZQLWTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-6-16(3)21(27-24(33)26-19-14-15(2)9-10-17(19)4)22(31)25-18-8-7-12-30(23(18)32)20-11-13-29(5)28-20/h9-11,13-14,16,18,21H,6-8,12H2,1-5H3,(H,25,31)(H2,26,27,33).
What are the key properties of 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide?
2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide has a molecular weight of 454.58 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)carbamoylamino]-3-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pentanamide is sourced from PubChem (CID 167748291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).