N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide

C15H23N3O3S — CID 50975278

IUPACN-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nc(CC(=O)N2CCCC(C(=O)NCCCO)C2)cs1
InChIInChI=1S/C15H23N3O3S/c1-11-17-13(10-22-11)8-14(20)18-6-2-4-12(9-18)15(21)16-5-3-7-19/h10,12,19H,2-9H2,1H3,(H,16,21)
InChIKeySCLBOCBSEKHZOB-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.73
Rot. Bonds6

About N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide

N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide (PubChem CID 50975278) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
PubChem CID50975278
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nc(CC(=O)N2CCCC(C(=O)NCCCO)C2)cs1
InChIInChI=1S/C15H23N3O3S/c1-11-17-13(10-22-11)8-14(20)18-6-2-4-12(9-18)15(21)16-5-3-7-19/h10,12,19H,2-9H2,1H3,(H,16,21)
InChIKeySCLBOCBSEKHZOB-UHFFFAOYSA-N
XLogP0.73
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide (CID 50975278) is N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide is Cc1nc(CC(=O)N2CCCC(C(=O)NCCCO)C2)cs1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is SCLBOCBSEKHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-17-13(10-22-11)8-14(20)18-6-2-4-12(9-18)15(21)16-5-3-7-19/h10,12,19H,2-9H2,1H3,(H,16,21).
What are the key properties of N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 50975278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).