(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide

C13H21N3O2S — CID 166616622

IUPAC(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ncsc1CCNC(=O)[C@@H]1CN(C)CC[C@H]1O
InChIInChI=1S/C13H21N3O2S/c1-9-12(19-8-15-9)3-5-14-13(18)10-7-16(2)6-4-11(10)17/h8,10-11,17H,3-7H2,1-2H3,(H,14,18)/t10-,11-/m1/s1
InChIKeyZAPSKDGUDDHUAB-GHMZBOCLSA-N
MW283.40 g/mol
LogP0.42
Rot. Bonds4

About (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide

(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 166616622) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID166616622
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ncsc1CCNC(=O)[C@@H]1CN(C)CC[C@H]1O
InChIInChI=1S/C13H21N3O2S/c1-9-12(19-8-15-9)3-5-14-13(18)10-7-16(2)6-4-11(10)17/h8,10-11,17H,3-7H2,1-2H3,(H,14,18)/t10-,11-/m1/s1
InChIKeyZAPSKDGUDDHUAB-GHMZBOCLSA-N
XLogP0.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 163317688
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
(1R,6S,8R)-3-(4-chloro-1-methylpyrazole-3-carbonyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 169420030
3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
CID 114511001
4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531811
(3R,4S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157014343
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 99960771
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 99972824

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide (CID 166616622) is (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide is Cc1ncsc1CCNC(=O)[C@@H]1CN(C)CC[C@H]1O.
What is the InChIKey of (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZAPSKDGUDDHUAB-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-12(19-8-15-9)3-5-14-13(18)10-7-16(2)6-4-11(10)17/h8,10-11,17H,3-7H2,1-2H3,(H,14,18)/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide?
(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 166616622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).