1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide

C21H26N4O2S — CID 17482911

IUPAC1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1
InChIInChI=1S/C21H26N4O2S/c1-24(2)17(19-8-5-13-28-19)14-22-20(26)15-9-11-25(12-10-15)21-23-16-6-3-4-7-18(16)27-21/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,22,26)
InChIKeySFYMATIACUOHQC-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.52
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide (PubChem CID 17482911) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
PubChem CID17482911
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1
InChIInChI=1S/C21H26N4O2S/c1-24(2)17(19-8-5-13-28-19)14-22-20(26)15-9-11-25(12-10-15)21-23-16-6-3-4-7-18(16)27-21/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,22,26)
InChIKeySFYMATIACUOHQC-UHFFFAOYSA-N
XLogP3.52
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]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

Related Compounds

1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 42059906
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 24607473
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
1-(1,3-benzoxazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 16594880
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 26021668

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide (CID 17482911) is 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide is CN(C)C(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide?
The InChIKey is SFYMATIACUOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-24(2)17(19-8-5-13-28-19)14-22-20(26)15-9-11-25(12-10-15)21-23-16-6-3-4-7-18(16)27-21/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 17482911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).