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

C14H22N4O2S — CID 70787928

IUPAC1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1csc(CCNC(=O)C2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-21-13(17-10)2-5-16-14(20)11-3-6-18(7-4-11)8-12(15)19/h9,11H,2-8H2,1H3,(H2,15,19)(H,16,20)
InChIKeyFMEDEVVLHCFCNC-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.31
Rot. Bonds6

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

1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 70787928) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID70787928
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1csc(CCNC(=O)C2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-21-13(17-10)2-5-16-14(20)11-3-6-18(7-4-11)8-12(15)19/h9,11H,2-8H2,1H3,(H2,15,19)(H,16,20)
InChIKeyFMEDEVVLHCFCNC-UHFFFAOYSA-N
XLogP0.31
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817856
N-isopropyl-1'-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189152
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 16188670
US10166214, Example 27
CID 86293696
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 36936730
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 45810788
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
1-[3-[(4-Methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
CID 48779494
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 49440653
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide (CID 70787928) is 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is Cc1csc(CCNC(=O)C2CCN(CC(N)=O)CC2)n1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is FMEDEVVLHCFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10-9-21-13(17-10)2-5-16-14(20)11-3-6-18(7-4-11)8-12(15)19/h9,11H,2-8H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70787928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).