N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide

C26H29N3O2S — CID 1064756

IUPACN-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H29N3O2S/c1-19-11-13-29(14-12-19)24-10-9-21(28-25(30)17-22-8-5-15-32-22)16-23(24)26(31)27-18-20-6-3-2-4-7-20/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyZKUUAOZJSFHALI-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.10
Rot. Bonds7

About N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide

N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide (PubChem CID 1064756) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
PubChem CID1064756
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H29N3O2S/c1-19-11-13-29(14-12-19)24-10-9-21(28-25(30)17-22-8-5-15-32-22)16-23(24)26(31)27-18-20-6-3-2-4-7-20/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyZKUUAOZJSFHALI-UHFFFAOYSA-N
XLogP5.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 42753386
N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1064769
N-benzyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3951976
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066262
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 42752775
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1066480
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4276145
N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 42751350

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
The IUPAC name of N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide (CID 1064756) is N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide.
What is the SMILES notation for N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
The canonical SMILES for N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide is CC1CCN(c2ccc(NC(=O)Cc3cccs3)cc2C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
The InChIKey is ZKUUAOZJSFHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-19-11-13-29(14-12-19)24-10-9-21(28-25(30)17-22-8-5-15-32-22)16-23(24)26(31)27-18-20-6-3-2-4-7-20/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide?
N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide has a molecular weight of 447.60 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 1064756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).