5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide

C16H18N4O2S — CID 86858542

IUPAC5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C16H18N4O2S/c17-15(21)14-4-3-12(10-18-14)16(22)20-7-5-19(6-8-20)11-13-2-1-9-23-13/h1-4,9-10H,5-8,11H2,(H2,17,21)
InChIKeyBBQTUMNBVACCPT-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.20
Rot. Bonds4

About 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide

5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 86858542) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID86858542
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C16H18N4O2S/c17-15(21)14-4-3-12(10-18-14)16(22)20-7-5-19(6-8-20)11-13-2-1-9-23-13/h1-4,9-10H,5-8,11H2,(H2,17,21)
InChIKeyBBQTUMNBVACCPT-UHFFFAOYSA-N
XLogP1.20
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 70720101
2-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19622022
(1-methylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35383078
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74245609
1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19623779
N,N-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30507275
(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801509

Frequently Asked Questions

What is the IUPAC name of 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide (CID 86858542) is 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cn1.
What is the InChIKey of 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is BBQTUMNBVACCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-15(21)14-4-3-12(10-18-14)16(22)20-7-5-19(6-8-20)11-13-2-1-9-23-13/h1-4,9-10H,5-8,11H2,(H2,17,21).
What are the key properties of 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 86858542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).