(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide

C19H26ClN3OS+2 — CID 9317238

IUPAC(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
SMILESC[C@H](C(=O)N(C)c1ccccc1)[NH+]1CC[NH+](Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C19H24ClN3OS/c1-15(19(24)21(2)16-6-4-3-5-7-16)23-12-10-22(11-13-23)14-17-8-9-18(20)25-17/h3-9,15H,10-14H2,1-2H3/p+2/t15-/m1/s1
InChIKeyRUTJTEWLVPBCGN-OAHLLOKOSA-P
MW379.96 g/mol
LogP0.74
Rot. Bonds5

About (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide

(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide (PubChem CID 9317238) has the molecular formula C19H26ClN3OS+2 and a molecular weight of 379.96 g/mol. Its IUPAC name is (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
PubChem CID9317238
Molecular FormulaC19H26ClN3OS+2
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC Name(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
SMILESC[C@H](C(=O)N(C)c1ccccc1)[NH+]1CC[NH+](Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C19H24ClN3OS/c1-15(19(24)21(2)16-6-4-3-5-7-16)23-12-10-22(11-13-23)14-17-8-9-18(20)25-17/h3-9,15H,10-14H2,1-2H3/p+2/t15-/m1/s1
InChIKeyRUTJTEWLVPBCGN-OAHLLOKOSA-P
XLogP0.74
TPSA29.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
CID 9357362
(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide
CID 9348840
(2R)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 9266186
(2S)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxyphenyl)propanamide
CID 9261886
(2R)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
CID 8719677
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9262117
(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9317239
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
CID 9433590
N-benzyl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9262090
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258870
N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9262263
ethyl 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate
CID 9262167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide (CID 9317238) is (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide is C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CC[NH+](Cc2ccc(Cl)s2)CC1.
What is the InChIKey of (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide?
The InChIKey is RUTJTEWLVPBCGN-OAHLLOKOSA-P. The full InChI is InChI=1S/C19H24ClN3OS/c1-15(19(24)21(2)16-6-4-3-5-7-16)23-12-10-22(11-13-23)14-17-8-9-18(20)25-17/h3-9,15H,10-14H2,1-2H3/p+2/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide?
(2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide has a molecular weight of 379.96 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 9317238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).