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

C14H22N4O3 — CID 70765431

IUPAC1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H22N4O3/c1-10(12-5-8-21-16-12)17(2)14(20)11-3-6-18(7-4-11)9-13(15)19/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H2,15,19)
InChIKeyPOBLMGAXZVDNKD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.39
Rot. Bonds5

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

1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 70765431) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID70765431
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H22N4O3/c1-10(12-5-8-21-16-12)17(2)14(20)11-3-6-18(7-4-11)9-13(15)19/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H2,15,19)
InChIKeyPOBLMGAXZVDNKD-UHFFFAOYSA-N
XLogP0.39
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide (CID 70765431) is 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide is CC(c1ccon1)N(C)C(=O)C1CCN(CC(N)=O)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is POBLMGAXZVDNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(12-5-8-21-16-12)17(2)14(20)11-3-6-18(7-4-11)9-13(15)19/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H2,15,19).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70765431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).