N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

C16H20N4OS — CID 53499414

IUPACN-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H20N4OS/c21-16(18-11-15-3-1-2-5-17-15)20-8-6-19(7-9-20)12-14-4-10-22-13-14/h1-5,10,13H,6-9,11-12H2,(H,18,21)
InChIKeyNGQWULSHJJGPLJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.17
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 53499414) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
PubChem CID53499414
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H20N4OS/c21-16(18-11-15-3-1-2-5-17-15)20-8-6-19(7-9-20)12-14-4-10-22-13-14/h1-5,10,13H,6-9,11-12H2,(H,18,21)
InChIKeyNGQWULSHJJGPLJ-UHFFFAOYSA-N
XLogP2.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86944043
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (CID 53499414) is N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccccn1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NGQWULSHJJGPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(18-11-15-3-1-2-5-17-15)20-8-6-19(7-9-20)12-14-4-10-22-13-14/h1-5,10,13H,6-9,11-12H2,(H,18,21).
What are the key properties of N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53499414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).