N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide

C21H28N2O2S — CID 17012146

IUPACN-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)25-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-26-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyDKTBMQUXYNRRRZ-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.49
Rot. Bonds7

About N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide

N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide (PubChem CID 17012146) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
PubChem CID17012146
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)25-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-26-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyDKTBMQUXYNRRRZ-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 46522609
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
4-(2-methylpropoxy)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35123222
4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35340992
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
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide (CID 17012146) is N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(c2cccs2)N2CCCCC2)cc1.
What is the InChIKey of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide?
The InChIKey is DKTBMQUXYNRRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16(2)25-18-10-8-17(9-11-18)21(24)22-15-19(20-7-6-14-26-20)23-12-4-3-5-13-23/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide?
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide has a molecular weight of 372.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).