6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

C16H20N3OS+ — CID 7130488

IUPAC6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCCC2)[nH+]c1
InChIInChI=1S/C16H19N3OS/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)/p+1
InChIKeyLIUPHHQGXMTTEM-UHFFFAOYSA-O
MW302.42 g/mol
LogP2.48
Rot. Bonds4

About 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide (PubChem CID 7130488) has the molecular formula C16H20N3OS+ and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
PubChem CID7130488
Molecular FormulaC16H20N3OS+
Molecular Weight302.42 g/mol
Exact Mass302.13
IUPAC Name6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCCC2)[nH+]c1
InChIInChI=1S/C16H19N3OS/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)/p+1
InChIKeyLIUPHHQGXMTTEM-UHFFFAOYSA-O
XLogP2.48
TPSA46.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-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

4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 53145955
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 41202358
(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9459411
1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 46335810
2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46363911

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide?
The IUPAC name of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide (CID 7130488) is 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide?
The canonical SMILES for 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide is O=C(NCc1cccs1)c1ccc(N2CCCCC2)[nH+]c1.
What is the InChIKey of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide?
The InChIKey is LIUPHHQGXMTTEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3OS/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)/p+1.
What are the key properties of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide?
6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 7130488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).