1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

C16H27N5O3 — CID 46991663

IUPAC1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1nnc(CN(C(=O)C2CCCN(CC(N)=O)C2)C(C)C)o1
InChIInChI=1S/C16H27N5O3/c1-4-14-18-19-15(24-14)10-21(11(2)3)16(23)12-6-5-7-20(8-12)9-13(17)22/h11-12H,4-10H2,1-3H3,(H2,17,22)
InChIKeyFLRGAWUYKNCHHG-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.57
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 46991663) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID46991663
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1nnc(CN(C(=O)C2CCCN(CC(N)=O)C2)C(C)C)o1
InChIInChI=1S/C16H27N5O3/c1-4-14-18-19-15(24-14)10-21(11(2)3)16(23)12-6-5-7-20(8-12)9-13(17)22/h11-12H,4-10H2,1-3H3,(H2,17,22)
InChIKeyFLRGAWUYKNCHHG-UHFFFAOYSA-N
XLogP0.57
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 46991663) is 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is CCc1nnc(CN(C(=O)C2CCCN(CC(N)=O)C2)C(C)C)o1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is FLRGAWUYKNCHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-4-14-18-19-15(24-14)10-21(11(2)3)16(23)12-6-5-7-20(8-12)9-13(17)22/h11-12H,4-10H2,1-3H3,(H2,17,22).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46991663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).