3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H26N4O3 — CID 32527060

IUPAC3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2c(C)noc2C(C)C)CC1
InChIInChI=1S/C16H26N4O3/c1-10(2)15-14(11(3)19-23-15)16(22)18-12-5-7-20(8-6-12)9-13(21)17-4/h10,12H,5-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyURHWWAQPPVMIKO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.05
Rot. Bonds5

About 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 32527060) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID32527060
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2c(C)noc2C(C)C)CC1
InChIInChI=1S/C16H26N4O3/c1-10(2)15-14(11(3)19-23-15)16(22)18-12-5-7-20(8-6-12)9-13(21)17-4/h10,12H,5-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyURHWWAQPPVMIKO-UHFFFAOYSA-N
XLogP1.05
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091
5-chloro-1,3-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 32529148
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154737089
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
3-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 86772586
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222687
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 32527060) is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is CNC(=O)CN1CCC(NC(=O)c2c(C)noc2C(C)C)CC1.
What is the InChIKey of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is URHWWAQPPVMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)15-14(11(3)19-23-15)16(22)18-12-5-7-20(8-6-12)9-13(21)17-4/h10,12H,5-9H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 32527060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).