N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide

C18H20Cl2N4O — CID 172904520

IUPACN-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccncc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N4O/c19-15-1-2-16(20)17(11-15)22-18(25)13-24-9-7-23(8-10-24)12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2,(H,22,25)
InChIKeyPWHGGCCVDZLTLX-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.14
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 172904520) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
PubChem CID172904520
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccncc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N4O/c19-15-1-2-16(20)17(11-15)22-18(25)13-24-9-7-23(8-10-24)12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2,(H,22,25)
InChIKeyPWHGGCCVDZLTLX-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

N-(2,5-dichlorophenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195718
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2,5-dichlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073942
N-(2,5-dichlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434263
N-(2,5-dichlorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257466
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46663083
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801308
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide (CID 172904520) is N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccncc2)CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is PWHGGCCVDZLTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c19-15-1-2-16(20)17(11-15)22-18(25)13-24-9-7-23(8-10-24)12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-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-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 172904520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).