1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide

C16H26N4O3 — CID 70704342

IUPAC1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)CN2CCC(C(N)=O)CC2)no1
InChIInChI=1S/C16H26N4O3/c1-11(2)14-8-13(18-23-14)9-19(3)15(21)10-20-6-4-12(5-7-20)16(17)22/h8,11-12H,4-7,9-10H2,1-3H3,(H2,17,22)
InChIKeyBIVBQDLUDDLVKP-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.95
Rot. Bonds6

About 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 70704342) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID70704342
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)CN2CCC(C(N)=O)CC2)no1
InChIInChI=1S/C16H26N4O3/c1-11(2)14-8-13(18-23-14)9-19(3)15(21)10-20-6-4-12(5-7-20)16(17)22/h8,11-12H,4-7,9-10H2,1-3H3,(H2,17,22)
InChIKeyBIVBQDLUDDLVKP-UHFFFAOYSA-N
XLogP0.95
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 70704342) is 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide is CC(C)c1cc(CN(C)C(=O)CN2CCC(C(N)=O)CC2)no1.
What is the InChIKey of 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is BIVBQDLUDDLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)14-8-13(18-23-14)9-19(3)15(21)10-20-6-4-12(5-7-20)16(17)22/h8,11-12H,4-7,9-10H2,1-3H3,(H2,17,22).
What are the key properties of 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70704342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).