2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide

C18H24N4O2 — CID 169114595

IUPAC2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCC(C)n1cc2cc([C@H]3CC[C@H](C)CN3C(=O)C(N)=O)ccc2n1
InChIInChI=1S/C18H24N4O2/c1-11(2)22-10-14-8-13(5-6-15(14)20-22)16-7-4-12(3)9-21(16)18(24)17(19)23/h5-6,8,10-12,16H,4,7,9H2,1-3H3,(H2,19,23)/t12-,16+/m0/s1
InChIKeyMYMWDTCMRGXGIB-BLLLJJGKSA-N
MW328.42 g/mol
LogP2.40
Rot. Bonds2

About 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 169114595) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID169114595
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCC(C)n1cc2cc([C@H]3CC[C@H](C)CN3C(=O)C(N)=O)ccc2n1
InChIInChI=1S/C18H24N4O2/c1-11(2)22-10-14-8-13(5-6-15(14)20-22)16-7-4-12(3)9-21(16)18(24)17(19)23/h5-6,8,10-12,16H,4,7,9H2,1-3H3,(H2,19,23)/t12-,16+/m0/s1
InChIKeyMYMWDTCMRGXGIB-BLLLJJGKSA-N
XLogP2.40
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide (CID 169114595) is 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide is CC(C)n1cc2cc([C@H]3CC[C@H](C)CN3C(=O)C(N)=O)ccc2n1.
What is the InChIKey of 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is MYMWDTCMRGXGIB-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)22-10-14-8-13(5-6-15(14)20-22)16-7-4-12(3)9-21(16)18(24)17(19)23/h5-6,8,10-12,16H,4,7,9H2,1-3H3,(H2,19,23)/t12-,16+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 328.42 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).