N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

C25H32N4OS — CID 50839463

IUPACN-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCCN(c2nccc3sc(C)cc23)C1)c1ccccc1
InChIInChI=1S/C25H32N4OS/c1-3-28(21-10-5-4-6-11-21)16-8-13-27-25(30)20-9-7-15-29(18-20)24-22-17-19(2)31-23(22)12-14-26-24/h4-6,10-12,14,17,20H,3,7-9,13,15-16,18H2,1-2H3,(H,27,30)
InChIKeyHFEPUSOAFLTLDW-UHFFFAOYSA-N
MW436.63 g/mol
LogP4.85
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (PubChem CID 50839463) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
PubChem CID50839463
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCCN(c2nccc3sc(C)cc23)C1)c1ccccc1
InChIInChI=1S/C25H32N4OS/c1-3-28(21-10-5-4-6-11-21)16-8-13-27-25(30)20-9-7-15-29(18-20)24-22-17-19(2)31-23(22)12-14-26-24/h4-6,10-12,14,17,20H,3,7-9,13,15-16,18H2,1-2H3,(H,27,30)
InChIKeyHFEPUSOAFLTLDW-UHFFFAOYSA-N
XLogP4.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide
CID 51661845
N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839363
(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044
(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92898998
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 133408219
N-[3-(N-methylanilino)propyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071435
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
(3R)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 95092813
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (CID 50839463) is N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is CCN(CCCNC(=O)C1CCCN(c2nccc3sc(C)cc23)C1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The InChIKey is HFEPUSOAFLTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-3-28(21-10-5-4-6-11-21)16-8-13-27-25(30)20-9-7-15-29(18-20)24-22-17-19(2)31-23(22)12-14-26-24/h4-6,10-12,14,17,20H,3,7-9,13,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide has a molecular weight of 436.63 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50839463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).