N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide

C23H31N3O2S — CID 46522585

IUPACN-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
SMILESCC1CCN(C(CNC(=O)CCCNC(=O)c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C23H31N3O2S/c1-18-11-14-26(15-12-18)20(21-9-6-16-29-21)17-25-22(27)10-5-13-24-23(28)19-7-3-2-4-8-19/h2-4,6-9,16,18,20H,5,10-15,17H2,1H3,(H,24,28)(H,25,27)
InChIKeyFUWXUVXWZOXWGZ-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.85
Rot. Bonds9

About N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide

N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide (PubChem CID 46522585) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
PubChem CID46522585
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
SMILESCC1CCN(C(CNC(=O)CCCNC(=O)c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C23H31N3O2S/c1-18-11-14-26(15-12-18)20(21-9-6-16-29-21)17-25-22(27)10-5-13-24-23(28)19-7-3-2-4-8-19/h2-4,6-9,16,18,20H,5,10-15,17H2,1H3,(H,24,28)(H,25,27)
InChIKeyFUWXUVXWZOXWGZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[3-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]benzamide
CID 111012285
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide (CID 46522585) is N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide is CC1CCN(C(CNC(=O)CCCNC(=O)c2ccccc2)c2cccs2)CC1.
What is the InChIKey of N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide?
The InChIKey is FUWXUVXWZOXWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-18-11-14-26(15-12-18)20(21-9-6-16-29-21)17-25-22(27)10-5-13-24-23(28)19-7-3-2-4-8-19/h2-4,6-9,16,18,20H,5,10-15,17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide?
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide has a molecular weight of 413.59 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 46522585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).