N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide

C13H21ClN4OS — CID 37209920

IUPACN-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C13H21ClN4OS/c1-2-3-6-15-13(19)10-4-7-18(8-5-10)9-11-12(14)20-17-16-11/h10H,2-9H2,1H3,(H,15,19)
InChIKeyHLWSUVOEJQRQDX-UHFFFAOYSA-N
MW316.86 g/mol
LogP2.32
Rot. Bonds6

About N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide

N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 37209920) has the molecular formula C13H21ClN4OS and a molecular weight of 316.86 g/mol. Its IUPAC name is N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID37209920
Molecular FormulaC13H21ClN4OS
Molecular Weight316.86 g/mol
Exact Mass316.11
IUPAC NameN-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C13H21ClN4OS/c1-2-3-6-15-13(19)10-4-7-18(8-5-10)9-11-12(14)20-17-16-11/h10H,2-9H2,1H3,(H,15,19)
InChIKeyHLWSUVOEJQRQDX-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide (CID 37209920) is N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HLWSUVOEJQRQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4OS/c1-2-3-6-15-13(19)10-4-7-18(8-5-10)9-11-12(14)20-17-16-11/h10H,2-9H2,1H3,(H,15,19).
What are the key properties of N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide?
N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 316.86 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 37209920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).