N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide

C21H26Cl2N4O — CID 8616226

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1ccc(CN2CCN(CC(=O)Nc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H26Cl2N4O/c1-15(2)17-5-3-16(4-6-17)13-26-7-9-27(10-8-26)14-20(28)25-21-19(23)11-18(22)12-24-21/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,24,25,28)
InChIKeyMHYQYXBSEYMGSQ-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.27
Rot. Bonds6

About N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide

N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8616226) has the molecular formula C21H26Cl2N4O and a molecular weight of 421.37 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8616226
Molecular FormulaC21H26Cl2N4O
Molecular Weight421.37 g/mol
Exact Mass420.15
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1ccc(CN2CCN(CC(=O)Nc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H26Cl2N4O/c1-15(2)17-5-3-16(4-6-17)13-26-7-9-27(10-8-26)14-20(28)25-21-19(23)11-18(22)12-24-21/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,24,25,28)
InChIKeyMHYQYXBSEYMGSQ-UHFFFAOYSA-N
XLogP4.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8693382
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475
N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8538810
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9300372
2-[1-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617732
(2S)-N-ethyl-2-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8616835
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51726510

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide (CID 8616226) is N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide is CC(C)c1ccc(CN2CCN(CC(=O)Nc3ncc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MHYQYXBSEYMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O/c1-15(2)17-5-3-16(4-6-17)13-26-7-9-27(10-8-26)14-20(28)25-21-19(23)11-18(22)12-24-21/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,24,25,28).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 421.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8616226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).