3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide

C14H22N4O2S — CID 71982707

IUPAC3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCCC(CC(N)=O)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-11-7-16-13(21-11)8-17-14(20)18-5-3-4-10(9-18)6-12(15)19/h7,10H,2-6,8-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyRAFLRMUGGAVWDE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.50
Rot. Bonds5

About 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 71982707) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID71982707
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCCC(CC(N)=O)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-11-7-16-13(21-11)8-17-14(20)18-5-3-4-10(9-18)6-12(15)19/h7,10H,2-6,8-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyRAFLRMUGGAVWDE-UHFFFAOYSA-N
XLogP1.50
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867675
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-5-ethylthiazole-2-carboxamide
CID 132228070
3-[2-(2-Methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447188
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717707
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110738973
2-[1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-2-fluoroacetamide
CID 132364020
N,4-dimethyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 58499066
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-ethyl-1,3-thiazole-2-carboxamide
CID 146193055
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(5-ethyl-1,3-thiazol-2-yl)butan-1-one
CID 160726193
2-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 168208473
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 25481539
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
CID 55105536

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide (CID 71982707) is 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is CCc1cnc(CNC(=O)N2CCCC(CC(N)=O)C2)s1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RAFLRMUGGAVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-11-7-16-13(21-11)8-17-14(20)18-5-3-4-10(9-18)6-12(15)19/h7,10H,2-6,8-9H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71982707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).