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

C15H26N4O2S — CID 100671099

IUPACN-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide
SMILESCOCCCN(C)C(=O)N1CCC(Nc2nc(C)cs2)CC1
InChIInChI=1S/C15H26N4O2S/c1-12-11-22-14(16-12)17-13-5-8-19(9-6-13)15(20)18(2)7-4-10-21-3/h11,13H,4-10H2,1-3H3,(H,16,17)
InChIKeyVVLYDRONBNHJTG-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.42
Rot. Bonds6

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

N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide (PubChem CID 100671099) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide
PubChem CID100671099
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide
SMILESCOCCCN(C)C(=O)N1CCC(Nc2nc(C)cs2)CC1
InChIInChI=1S/C15H26N4O2S/c1-12-11-22-14(16-12)17-13-5-8-19(9-6-13)15(20)18(2)7-4-10-21-3/h11,13H,4-10H2,1-3H3,(H,16,17)
InChIKeyVVLYDRONBNHJTG-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-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-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide (CID 100671099) is N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide is COCCCN(C)C(=O)N1CCC(Nc2nc(C)cs2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is VVLYDRONBNHJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-11-22-14(16-12)17-13-5-8-19(9-6-13)15(20)18(2)7-4-10-21-3/h11,13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide?
N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 100671099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).