(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide

C16H23Cl2N3O — CID 7986989

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
SMILESCCCN1CCN([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)/t12-/m0/s1
InChIKeyHJZFNNNPHBQAOR-LBPRGKRZSA-N
MW344.29 g/mol
LogP3.35
Rot. Bonds5

About (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide

(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide (PubChem CID 7986989) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
PubChem CID7986989
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
SMILESCCCN1CCN([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)/t12-/m0/s1
InChIKeyHJZFNNNPHBQAOR-LBPRGKRZSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78828696
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
N-(2,5-dichlorophenyl)-4-propylpiperazine-1-carbothioamide
CID 17284621
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
CID 97070928
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide (CID 7986989) is (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide is CCCN1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide?
The InChIKey is HJZFNNNPHBQAOR-LBPRGKRZSA-N. 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)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide?
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide has a molecular weight of 344.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide is sourced from PubChem (CID 7986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).