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

C22H29N3O3 — CID 110236576

IUPACN,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1
InChIInChI=1S/C22H29N3O3/c1-16(2)20(26)25-12-8-11-22(15-25,21(27)24(3)4)14-18-13-19(23-28-18)17-9-6-5-7-10-17/h5-7,9-10,13,16H,8,11-12,14-15H2,1-4H3
InChIKeyYPYFPDTZXVPUHR-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.24
Rot. Bonds5

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

N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 110236576) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID110236576
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCCC(Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1
InChIInChI=1S/C22H29N3O3/c1-16(2)20(26)25-12-8-11-22(15-25,21(27)24(3)4)14-18-13-19(23-28-18)17-9-6-5-7-10-17/h5-7,9-10,13,16H,8,11-12,14-15H2,1-4H3
InChIKeyYPYFPDTZXVPUHR-UHFFFAOYSA-N
XLogP3.24
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 110236576) is N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CC(C)C(=O)N1CCCC(Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YPYFPDTZXVPUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(2)20(26)25-12-8-11-22(15-25,21(27)24(3)4)14-18-13-19(23-28-18)17-9-6-5-7-10-17/h5-7,9-10,13,16H,8,11-12,14-15H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110236576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).