4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C19H27N7O3 — CID 75475560

IUPAC4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCCC(N3CCN(C(=O)Nc4cc(C)on4)CC3)C2=O)n(C)n1
InChIInChI=1S/C19H27N7O3/c1-13-11-17(23(3)21-13)26-6-4-5-15(18(26)27)24-7-9-25(10-8-24)19(28)20-16-12-14(2)29-22-16/h11-12,15H,4-10H2,1-3H3,(H,20,22,28)
InChIKeyFAQFWDTULYOQIE-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.37
Rot. Bonds3

About 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 75475560) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID75475560
Molecular FormulaC19H27N7O3
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC Name4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCCC(N3CCN(C(=O)Nc4cc(C)on4)CC3)C2=O)n(C)n1
InChIInChI=1S/C19H27N7O3/c1-13-11-17(23(3)21-13)26-6-4-5-15(18(26)27)24-7-9-25(10-8-24)19(28)20-16-12-14(2)29-22-16/h11-12,15H,4-10H2,1-3H3,(H,20,22,28)
InChIKeyFAQFWDTULYOQIE-UHFFFAOYSA-N
XLogP1.37
TPSA99.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one
CID 97346629
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
CID 75475434
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 97346624
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97214073
3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
CID 94798808
4-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]sulfonylbutanenitrile
CID 97346626
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113111781
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 75475560) is 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(N2CCCC(N3CCN(C(=O)Nc4cc(C)on4)CC3)C2=O)n(C)n1.
What is the InChIKey of 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is FAQFWDTULYOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-13-11-17(23(3)21-13)26-6-4-5-15(18(26)27)24-7-9-25(10-8-24)19(28)20-16-12-14(2)29-22-16/h11-12,15H,4-10H2,1-3H3,(H,20,22,28).
What are the key properties of 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 75475560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).