N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C22H29N3O3 — CID 92864183

IUPACN-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)NCCCN3[C@@H](C)CCC[C@@H]3C)c1CO2
InChIInChI=1S/C22H29N3O3/c1-14-8-9-19-17(12-14)21-18(13-27-19)20(24-28-21)22(26)23-10-5-11-25-15(2)6-4-7-16(25)3/h8-9,12,15-16H,4-7,10-11,13H2,1-3H3,(H,23,26)/t15-,16-/m0/s1
InChIKeyGJKAMNGTAPIQJX-HOTGVXAUSA-N
MW383.49 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 92864183) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID92864183
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)NCCCN3[C@@H](C)CCC[C@@H]3C)c1CO2
InChIInChI=1S/C22H29N3O3/c1-14-8-9-19-17(12-14)21-18(13-27-19)20(24-28-21)22(26)23-10-5-11-25-15(2)6-4-7-16(25)3/h8-9,12,15-16H,4-7,10-11,13H2,1-3H3,(H,23,26)/t15-,16-/m0/s1
InChIKeyGJKAMNGTAPIQJX-HOTGVXAUSA-N
XLogP3.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 92864183) is N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is Cc1ccc2c(c1)-c1onc(C(=O)NCCCN3[C@@H](C)CCC[C@@H]3C)c1CO2.
What is the InChIKey of N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is GJKAMNGTAPIQJX-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-8-9-19-17(12-14)21-18(13-27-19)20(24-28-21)22(26)23-10-5-11-25-15(2)6-4-7-16(25)3/h8-9,12,15-16H,4-7,10-11,13H2,1-3H3,(H,23,26)/t15-,16-/m0/s1.
What are the key properties of N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 92864183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).