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

C18H28N4O3 — CID 72917960

IUPACN,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1noc2c1CN(C(=O)CCCN1CCCCC1)CC2
InChIInChI=1S/C18H28N4O3/c1-20(2)18(24)17-14-13-22(12-8-15(14)25-19-17)16(23)7-6-11-21-9-4-3-5-10-21/h3-13H2,1-2H3
InChIKeyNAUBXAJUAWUMBF-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.53
Rot. Bonds5

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

N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 72917960) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID72917960
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1noc2c1CN(C(=O)CCCN1CCCCC1)CC2
InChIInChI=1S/C18H28N4O3/c1-20(2)18(24)17-14-13-22(12-8-15(14)25-19-17)16(23)7-6-11-21-9-4-3-5-10-21/h3-13H2,1-2H3
InChIKeyNAUBXAJUAWUMBF-UHFFFAOYSA-N
XLogP1.53
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 72917960) is N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CN(C)C(=O)c1noc2c1CN(C(=O)CCCN1CCCCC1)CC2.
What is the InChIKey of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is NAUBXAJUAWUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20(2)18(24)17-14-13-22(12-8-15(14)25-19-17)16(23)7-6-11-21-9-4-3-5-10-21/h3-13H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 72917960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).