(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide

C16H25Cl2N3O+2 — CID 7986990

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide
SMILESCCC[NH+]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O/c1-3-6-20-7-9-21(10-8-20)12(2)16(22)19-15-11-13(17)4-5-14(15)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,22)/p+2/t12-/m1/s1
InChIKeyHJZFNNNPHBQAOR-GFCCVEGCSA-P
MW346.30 g/mol
LogP0.51
Rot. Bonds5

About (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide

(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 7986990) has the molecular formula C16H25Cl2N3O+2 and a molecular weight of 346.30 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID7986990
Molecular FormulaC16H25Cl2N3O+2
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide
SMILESCCC[NH+]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O/c1-3-6-20-7-9-21(10-8-20)12(2)16(22)19-15-11-13(17)4-5-14(15)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,22)/p+2/t12-/m1/s1
InChIKeyHJZFNNNPHBQAOR-GFCCVEGCSA-P
XLogP0.51
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8720728
(2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690470
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8774385
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774511
ethyl 4-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431198
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258411
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9266129
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
CID 7986989
(2S)-2-[4-[2-(butylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 8774379
(2R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)propanamide
CID 9357404

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide (CID 7986990) is (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide is CCC[NH+]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is HJZFNNNPHBQAOR-GFCCVEGCSA-P. The full InChI is InChI=1S/C16H23Cl2N3O/c1-3-6-20-7-9-21(10-8-20)12(2)16(22)19-15-11-13(17)4-5-14(15)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,22)/p+2/t12-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide?
(2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 346.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 7986990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).