N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C26H31N3OS — CID 25495715

IUPACN-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NC2CCN(Cc3ccccc3)CC2)c2cccs2)cc1
InChIInChI=1S/C26H31N3OS/c1-20-9-11-22(12-10-20)26(24-8-5-17-31-24)27-18-25(30)28-23-13-15-29(16-14-23)19-21-6-3-2-4-7-21/h2-12,17,23,26-27H,13-16,18-19H2,1H3,(H,28,30)/t26-/m0/s1
InChIKeyGADGSAWEAJMXJS-SANMLTNESA-N
MW433.62 g/mol
LogP4.52
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 25495715) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID25495715
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NC2CCN(Cc3ccccc3)CC2)c2cccs2)cc1
InChIInChI=1S/C26H31N3OS/c1-20-9-11-22(12-10-20)26(24-8-5-17-31-24)27-18-25(30)28-23-13-15-29(16-14-23)19-21-6-3-2-4-7-21/h2-12,17,23,26-27H,13-16,18-19H2,1H3,(H,28,30)/t26-/m0/s1
InChIKeyGADGSAWEAJMXJS-SANMLTNESA-N
XLogP4.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869172
N-(1-benzylpiperidin-4-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756626
N-[(1S,2S)-2-methylcyclohexyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 11935888
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9052357
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8868503
N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8639280
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 55472238
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 25495715) is N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)NC2CCN(Cc3ccccc3)CC2)c2cccs2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is GADGSAWEAJMXJS-SANMLTNESA-N. The full InChI is InChI=1S/C26H31N3OS/c1-20-9-11-22(12-10-20)26(24-8-5-17-31-24)27-18-25(30)28-23-13-15-29(16-14-23)19-21-6-3-2-4-7-21/h2-12,17,23,26-27H,13-16,18-19H2,1H3,(H,28,30)/t26-/m0/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 433.62 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 25495715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).