N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C20H25N3O3 — CID 46271769

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1
InChIInChI=1S/C20H25N3O3/c1-14-7-11-23(12-8-14)10-4-9-21-20(24)18-16-13-25-17-6-3-2-5-15(17)19(16)26-22-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,21,24)
InChIKeyNVDQLWNGZHKKAD-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.09
Rot. Bonds5

About N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271769) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271769
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1
InChIInChI=1S/C20H25N3O3/c1-14-7-11-23(12-8-14)10-4-9-21-20(24)18-16-13-25-17-6-3-2-5-15(17)19(16)26-22-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,21,24)
InChIKeyNVDQLWNGZHKKAD-UHFFFAOYSA-N
XLogP3.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.09
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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Related Compounds

8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551108
8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273647
N-cyclopentyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 53003547
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516787
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
N-butyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427639
N-pyridin-3-yl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271796
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271728
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271769) is N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is CC1CCN(CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is NVDQLWNGZHKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-7-11-23(12-8-14)10-4-9-21-20(24)18-16-13-25-17-6-3-2-5-15(17)19(16)26-22-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).