1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide

C19H23N3O2S — CID 3222750

IUPAC1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2S/c23-18(20-14-17-7-4-12-25-17)16-8-10-22(11-9-16)19(24)21-13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,20,23)(H,21,24)
InChIKeyIEULSMSLECDUSF-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.99
Rot. Bonds5

About 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide

1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 3222750) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID3222750
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2S/c23-18(20-14-17-7-4-12-25-17)16-8-10-22(11-9-16)19(24)21-13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,20,23)(H,21,24)
InChIKeyIEULSMSLECDUSF-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-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

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 5418979
Rac-4-phenyl-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11188596
1-Benzyl-3-(thiophen-2-ylmethyl)urea
CID 858197
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197
N~2~-{[benzyl(thien-2-ylmethyl)amino]carbonothioyl}-N~1~-(4-fluorobenzyl)glycinamide
CID 3510121
1-Cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
CID 9550850
N-(1-Benzyl-piperidin-4-yl)-2-thiophen-3-yl-acetamide
CID 10925078
N-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide (CID 3222750) is 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide is O=C(NCc1cccs1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is IEULSMSLECDUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(20-14-17-7-4-12-25-17)16-8-10-22(11-9-16)19(24)21-13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,20,23)(H,21,24).
What are the key properties of 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3222750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).