N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C18H28N4O3 — CID 72899131

IUPACN,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCN1CCCC(CCC(=O)N2CCc3onc(C(=O)N(C)C)c3C2)C1
InChIInChI=1S/C18H28N4O3/c1-20(2)18(24)17-14-12-22(10-8-15(14)25-19-17)16(23)7-6-13-5-4-9-21(3)11-13/h13H,4-12H2,1-3H3
InChIKeyDBWHIBZRYOSFGY-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.38
Rot. Bonds4

About N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 72899131) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID72899131
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCN1CCCC(CCC(=O)N2CCc3onc(C(=O)N(C)C)c3C2)C1
InChIInChI=1S/C18H28N4O3/c1-20(2)18(24)17-14-12-22(10-8-15(14)25-19-17)16(23)7-6-13-5-4-9-21(3)11-13/h13H,4-12H2,1-3H3
InChIKeyDBWHIBZRYOSFGY-UHFFFAOYSA-N
XLogP1.38
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307938
3-(Morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3236189
3-(Piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3237875
5-cyclopropyl-N-((2R,4R)-2-methyl-1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242358
5-cyclopropyl-N-((2S,4R)-2-methyl-1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242370
5-cyclopropyl-N-((2R,4S)-2-methyl-1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242375
5-cyclopropyl-N-((3S,4S)-3-ethyl-1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242377
5-cyclopropyl-N-((3R,4S)-3-methyl-1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242452
5-cyclopropyl-N-(4-methyl-1-(2-(piperidin-4-yl)acetyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132242455
3-(4-Cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 20923911
N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 46280222
2-(3,5-Diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71856772

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 72899131) is N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CN1CCCC(CCC(=O)N2CCc3onc(C(=O)N(C)C)c3C2)C1.
What is the InChIKey of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is DBWHIBZRYOSFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20(2)18(24)17-14-12-22(10-8-15(14)25-19-17)16(23)7-6-13-5-4-9-21(3)11-13/h13H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 72899131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).