N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C18H20Cl2N4O — CID 46666961

IUPACN-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccn2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N4O/c19-15-5-3-6-16(20)18(15)22-17(25)13-24-10-8-23(9-11-24)12-14-4-1-2-7-21-14/h1-7H,8-13H2,(H,22,25)
InChIKeySFONDJVDAGWTLB-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.14
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 46666961) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID46666961
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccn2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N4O/c19-15-5-3-6-16(20)18(15)22-17(25)13-24-10-8-23(9-11-24)12-14-4-1-2-7-21-14/h1-7H,8-13H2,(H,22,25)
InChIKeySFONDJVDAGWTLB-UHFFFAOYSA-N
XLogP3.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16573037
N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 30138028
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
methyl 4-(2-chlorophenyl)-2-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 46667415
N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46527587
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036024
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46971924

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 46666961) is N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccccn2)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is SFONDJVDAGWTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c19-15-5-3-6-16(20)18(15)22-17(25)13-24-10-8-23(9-11-24)12-14-4-1-2-7-21-14/h1-7H,8-13H2,(H,22,25).
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 379.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46666961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).