4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

C22H30N2O2S — CID 35340992

IUPAC4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-2-3-15-26-19-11-9-18(10-12-19)22(25)23-17-20(21-8-7-16-27-21)24-13-5-4-6-14-24/h7-12,16,20H,2-6,13-15,17H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyROGVESGRGOWCAD-HXUWFJFHSA-N
MW386.56 g/mol
LogP4.88
Rot. Bonds9

About 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 35340992) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID35340992
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-2-3-15-26-19-11-9-18(10-12-19)22(25)23-17-20(21-8-7-16-27-21)24-13-5-4-6-14-24/h7-12,16,20H,2-6,13-15,17H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyROGVESGRGOWCAD-HXUWFJFHSA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
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-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150
4-(2-methylpropoxy)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35123222
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 46522609
4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 36996936
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 35340992) is 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1.
What is the InChIKey of 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is ROGVESGRGOWCAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-2-3-15-26-19-11-9-18(10-12-19)22(25)23-17-20(21-8-7-16-27-21)24-13-5-4-6-14-24/h7-12,16,20H,2-6,13-15,17H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 386.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 35340992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).