N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide

C17H29N3O2 — CID 75462159

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCCCN1CC(C)C
InChIInChI=1S/C17H29N3O2/c1-12(2)10-20-9-7-6-8-16(20)17(21)19(5)11-15-13(3)18-22-14(15)4/h12,16H,6-11H2,1-5H3
InChIKeyMIMOBLJKFPTBFQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.76
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 75462159) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID75462159
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCCCN1CC(C)C
InChIInChI=1S/C17H29N3O2/c1-12(2)10-20-9-7-6-8-16(20)17(21)19(5)11-15-13(3)18-22-14(15)4/h12,16H,6-11H2,1-5H3
InChIKeyMIMOBLJKFPTBFQ-UHFFFAOYSA-N
XLogP2.76
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide (CID 75462159) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1CCCCN1CC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is MIMOBLJKFPTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)10-20-9-7-6-8-16(20)17(21)19(5)11-15-13(3)18-22-14(15)4/h12,16H,6-11H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 75462159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).