(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H20Cl2N4O — CID 9446073

IUPAC(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-13(18(25)22-17-14(19)5-4-6-15(17)20)23-9-11-24(12-10-23)16-7-2-3-8-21-16/h2-8,13H,9-12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyJDTPBJZNWBHGOT-CYBMUJFWSA-N
MW379.29 g/mol
LogP3.54
Rot. Bonds4

About (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 9446073) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID9446073
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-13(18(25)22-17-14(19)5-4-6-15(17)20)23-9-11-24(12-10-23)16-7-2-3-8-21-16/h2-8,13H,9-12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyJDTPBJZNWBHGOT-CYBMUJFWSA-N
XLogP3.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445447
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
(2S)-N-(2,6-dichlorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 31482613
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4876524
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430308
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 9446073) is (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is JDTPBJZNWBHGOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-13(18(25)22-17-14(19)5-4-6-15(17)20)23-9-11-24(12-10-23)16-7-2-3-8-21-16/h2-8,13H,9-12H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 379.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9446073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).