(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C15H24N4O3S — CID 94657727

IUPAC(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCOCCCCNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1
InChIInChI=1S/C15H24N4O3S/c1-22-9-3-2-6-17-15(21)19-8-4-5-12(11-19)13(20)18-14-16-7-10-23-14/h7,10,12H,2-6,8-9,11H2,1H3,(H,17,21)(H,16,18,20)/t12-/m1/s1
InChIKeyBGMHVLWEOVPQAL-GFCCVEGCSA-N
MW340.45 g/mol
LogP1.93
Rot. Bonds7

About (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 94657727) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID94657727
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCOCCCCNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1
InChIInChI=1S/C15H24N4O3S/c1-22-9-3-2-6-17-15(21)19-8-4-5-12(11-19)13(20)18-14-16-7-10-23-14/h7,10,12H,2-6,8-9,11H2,1H3,(H,17,21)(H,16,18,20)/t12-/m1/s1
InChIKeyBGMHVLWEOVPQAL-GFCCVEGCSA-N
XLogP1.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 55911251
1-[2-[(3,5-dimethylbenzoyl)amino]acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818678
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 51961786

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 94657727) is (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is COCCCCNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1.
What is the InChIKey of (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is BGMHVLWEOVPQAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-22-9-3-2-6-17-15(21)19-8-4-5-12(11-19)13(20)18-14-16-7-10-23-14/h7,10,12H,2-6,8-9,11H2,1H3,(H,17,21)(H,16,18,20)/t12-/m1/s1.
What are the key properties of (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94657727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).