N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide

C26H26ClN3OS — CID 53023077

IUPACN-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H26ClN3OS/c27-21-8-9-23-20(15-21)16-24(25-7-4-14-32-25)30(23)18-26(31)28-22-10-12-29(13-11-22)17-19-5-2-1-3-6-19/h1-9,14-16,22H,10-13,17-18H2,(H,28,31)
InChIKeyVKNAWWANJJYIOO-UHFFFAOYSA-N
MW464.03 g/mol
LogP5.80
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 53023077) has the molecular formula C26H26ClN3OS and a molecular weight of 464.03 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID53023077
Molecular FormulaC26H26ClN3OS
Molecular Weight464.03 g/mol
Exact Mass463.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H26ClN3OS/c27-21-8-9-23-20(15-21)16-24(25-7-4-14-32-25)30(23)18-26(31)28-22-10-12-29(13-11-22)17-19-5-2-1-3-6-19/h1-9,14-16,22H,10-13,17-18H2,(H,28,31)
InChIKeyVKNAWWANJJYIOO-UHFFFAOYSA-N
XLogP5.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.03
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
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N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
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N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 16610753
1-benzyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55836832
N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 25495715
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117088807
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 55836058

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide (CID 53023077) is N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide is O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is VKNAWWANJJYIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3OS/c27-21-8-9-23-20(15-21)16-24(25-7-4-14-32-25)30(23)18-26(31)28-22-10-12-29(13-11-22)17-19-5-2-1-3-6-19/h1-9,14-16,22H,10-13,17-18H2,(H,28,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 464.03 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 53023077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).