(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide

C11H15N3O2S — CID 95828809

IUPAC(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C11H15N3O2S/c1-12-10(15)8-3-2-4-14(5-8)11(16)9-6-17-7-13-9/h6-8H,2-5H2,1H3,(H,12,15)/t8-/m1/s1
InChIKeyHKPHACYUJPIDNM-MRVPVSSYSA-N
MW253.33 g/mol
LogP0.74
Rot. Bonds2

About (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide

(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 95828809) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID95828809
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C11H15N3O2S/c1-12-10(15)8-3-2-4-14(5-8)11(16)9-6-17-7-13-9/h6-8H,2-5H2,1H3,(H,12,15)/t8-/m1/s1
InChIKeyHKPHACYUJPIDNM-MRVPVSSYSA-N
XLogP0.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 110086467
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
N-cyclopropyl-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870819
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide (CID 95828809) is (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is HKPHACYUJPIDNM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-12-10(15)8-3-2-4-14(5-8)11(16)9-6-17-7-13-9/h6-8H,2-5H2,1H3,(H,12,15)/t8-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide?
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95828809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).