(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide

C17H20N4O2S — CID 99703959

IUPAC(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESNC(=O)C[C@H]1CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1
InChIInChI=1S/C17H20N4O2S/c18-15(22)9-12-3-2-7-21(11-12)17(23)20-14-5-1-4-13(10-14)16-19-6-8-24-16/h1,4-6,8,10,12H,2-3,7,9,11H2,(H2,18,22)(H,20,23)/t12-/m1/s1
InChIKeyFKADLWAJMBSCOD-GFCCVEGCSA-N
MW344.44 g/mol
LogP2.93
Rot. Bonds4

About (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide

(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 99703959) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID99703959
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESNC(=O)C[C@H]1CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1
InChIInChI=1S/C17H20N4O2S/c18-15(22)9-12-3-2-7-21(11-12)17(23)20-14-5-1-4-13(10-14)16-19-6-8-24-16/h1,4-6,8,10,12H,2-3,7,9,11H2,(H2,18,22)(H,20,23)/t12-/m1/s1
InChIKeyFKADLWAJMBSCOD-GFCCVEGCSA-N
XLogP2.93
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 154863910
1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 51090657
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
2-pyridin-4-yl-N-[3-(1,3-thiazol-2-yl)phenyl]azepane-1-carboxamide
CID 87035823
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
tert-butyl N-methyl-N-[[1-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519809
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
CID 128972578
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide (CID 99703959) is (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide is NC(=O)C[C@H]1CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1.
What is the InChIKey of (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is FKADLWAJMBSCOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-15(22)9-12-3-2-7-21(11-12)17(23)20-14-5-1-4-13(10-14)16-19-6-8-24-16/h1,4-6,8,10,12H,2-3,7,9,11H2,(H2,18,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 99703959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).