(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C15H23N3O2S — CID 99618269

IUPAC(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCCc1csc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-3-6-12-10-21-15(16-12)17-14(20)11-7-5-8-18(9-11)13(19)4-2/h10-11H,3-9H2,1-2H3,(H,16,17,20)/t11-/m1/s1
InChIKeyJZFWHIPQRSRQQD-LLVKDONJSA-N
MW309.44 g/mol
LogP2.68
Rot. Bonds5

About (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 99618269) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID99618269
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCCc1csc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-3-6-12-10-21-15(16-12)17-14(20)11-7-5-8-18(9-11)13(19)4-2/h10-11H,3-9H2,1-2H3,(H,16,17,20)/t11-/m1/s1
InChIKeyJZFWHIPQRSRQQD-LLVKDONJSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-butanoylpiperidine-3-carboxamide
CID 78904413
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 28803745
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
ethyl 1-[2-[2-(pyrimidine-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 121032577
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49352343
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276822
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 72886154
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307

Frequently Asked Questions

What is the IUPAC name of (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 99618269) is (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is CCCc1csc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1.
What is the InChIKey of (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is JZFWHIPQRSRQQD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-6-12-10-21-15(16-12)17-14(20)11-7-5-8-18(9-11)13(19)4-2/h10-11H,3-9H2,1-2H3,(H,16,17,20)/t11-/m1/s1.
What are the key properties of (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 99618269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).