N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C19H28N6O2 — CID 167962588

IUPACN-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCn1cc(C2CCN(C(=O)C(=O)NCC(C)(C)c3ccn(C)n3)CC2)cn1
InChIInChI=1S/C19H28N6O2/c1-19(2,16-7-8-23(3)22-16)13-20-17(26)18(27)25-9-5-14(6-10-25)15-11-21-24(4)12-15/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,20,26)
InChIKeyKZVKBZGDPQCYBE-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.95
Rot. Bonds4

About N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167962588) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID167962588
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCn1cc(C2CCN(C(=O)C(=O)NCC(C)(C)c3ccn(C)n3)CC2)cn1
InChIInChI=1S/C19H28N6O2/c1-19(2,16-7-8-23(3)22-16)13-20-17(26)18(27)25-9-5-14(6-10-25)15-11-21-24(4)12-15/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,20,26)
InChIKeyKZVKBZGDPQCYBE-UHFFFAOYSA-N
XLogP0.95
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
CID 167756837
5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile
CID 136512716
N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167918114
N-(5-bromo-2-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166211702
N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166260394
N-[2-(4-chlorophenyl)-2-methylpropyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742581
1-methyl-3-[[4-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]morpholin-2-yl]methyl]urea
CID 167812139
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
CID 167462179
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 120597079
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 167962588) is N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is Cn1cc(C2CCN(C(=O)C(=O)NCC(C)(C)c3ccn(C)n3)CC2)cn1.
What is the InChIKey of N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is KZVKBZGDPQCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,16-7-8-23(3)22-16)13-20-17(26)18(27)25-9-5-14(6-10-25)15-11-21-24(4)12-15/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,20,26).
What are the key properties of N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 372.47 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167962588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).