N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide

C17H25Cl2N3O2+2 — CID 9396214

IUPACN-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](C[C@H]2CCCO2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c18-14-4-1-5-15(19)17(14)20-16(23)12-22-8-6-21(7-9-22)11-13-3-2-10-24-13/h1,4-5,13H,2-3,6-12H2,(H,20,23)/p+2/t13-/m1/s1
InChIKeyJBJNSCRYUSAWGJ-CYBMUJFWSA-P
MW374.31 g/mol
LogP-0.11
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9396214) has the molecular formula C17H25Cl2N3O2+2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID9396214
Molecular FormulaC17H25Cl2N3O2+2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](C[C@H]2CCCO2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c18-14-4-1-5-15(19)17(14)20-16(23)12-22-8-6-21(7-9-22)11-13-3-2-10-24-13/h1,4-5,13H,2-3,6-12H2,(H,20,23)/p+2/t13-/m1/s1
InChIKeyJBJNSCRYUSAWGJ-CYBMUJFWSA-P
XLogP-0.11
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide 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

N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(2-ethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8773231
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9396292
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697995
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 42939871
N-(2,6-dichlorophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17284725
(2S)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 9268351
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8804598
(2S)-N-benzhydryl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9321906

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide (CID 9396214) is N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide is O=C(C[NH+]1CC[NH+](C[C@H]2CCCO2)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is JBJNSCRYUSAWGJ-CYBMUJFWSA-P. The full InChI is InChI=1S/C17H23Cl2N3O2/c18-14-4-1-5-15(19)17(14)20-16(23)12-22-8-6-21(7-9-22)11-13-3-2-10-24-13/h1,4-5,13H,2-3,6-12H2,(H,20,23)/p+2/t13-/m1/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 374.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9396214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).