(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C12H17N3O3S — CID 81120311

IUPAC(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1csc(CNC(=O)N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3S/c1-8-7-19-10(14-8)5-13-12(18)15-4-2-3-9(6-15)11(16)17/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)/t9-/m1/s1
InChIKeyFWKRLKIWWDBJDP-SECBINFHSA-N
MW283.35 g/mol
LogP1.46
Rot. Bonds3

About (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120311) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81120311
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1csc(CNC(=O)N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3S/c1-8-7-19-10(14-8)5-13-12(18)15-4-2-3-9(6-15)11(16)17/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)/t9-/m1/s1
InChIKeyFWKRLKIWWDBJDP-SECBINFHSA-N
XLogP1.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 47017638
(3S)-1-(3,5-dimethylbenzoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 51959451
(3R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 154843637
1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122011316
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62212389
(3S)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81123402
(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 97113726
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122004458
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 81120311) is (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid is Cc1csc(CNC(=O)N2CCC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FWKRLKIWWDBJDP-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-7-19-10(14-8)5-13-12(18)15-4-2-3-9(6-15)11(16)17/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).