N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

C20H27N3O3S — CID 16567797

IUPACN-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)C(C)N2CCN(Cc3ccsc3)CC2)cc(OC)c1
InChIInChI=1S/C20H27N3O3S/c1-15(20(24)21-17-10-18(25-2)12-19(11-17)26-3)23-7-5-22(6-8-23)13-16-4-9-27-14-16/h4,9-12,14-15H,5-8,13H2,1-3H3,(H,21,24)
InChIKeyPSPSFKVNDKJMTK-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.91
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 16567797) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
PubChem CID16567797
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)C(C)N2CCN(Cc3ccsc3)CC2)cc(OC)c1
InChIInChI=1S/C20H27N3O3S/c1-15(20(24)21-17-10-18(25-2)12-19(11-17)26-3)23-7-5-22(6-8-23)13-16-4-9-27-14-16/h4,9-12,14-15H,5-8,13H2,1-3H3,(H,21,24)
InChIKeyPSPSFKVNDKJMTK-UHFFFAOYSA-N
XLogP2.91
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30721681
(2R)-N-(4-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739497
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30731779
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30721542
(2S)-N-(4-chloro-2-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739460
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418
(2R)-N-(2,3-dichlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30723196
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30724631
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide (CID 16567797) is N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide is COc1cc(NC(=O)C(C)N2CCN(Cc3ccsc3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is PSPSFKVNDKJMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(20(24)21-17-10-18(25-2)12-19(11-17)26-3)23-7-5-22(6-8-23)13-16-4-9-27-14-16/h4,9-12,14-15H,5-8,13H2,1-3H3,(H,21,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide?
N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 16567797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).