2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

C20H24Cl2N4O — CID 86968963

IUPAC2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C20H24Cl2N4O/c1-15(24-20(27)13-16-17(21)5-4-6-18(16)22)14-25-9-11-26(12-10-25)19-7-2-3-8-23-19/h2-8,15H,9-14H2,1H3,(H,24,27)
InChIKeyGZPHHENPCQEJMO-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.26
Rot. Bonds6

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

2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 86968963) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID86968963
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C20H24Cl2N4O/c1-15(24-20(27)13-16-17(21)5-4-6-18(16)22)14-25-9-11-26(12-10-25)19-7-2-3-8-23-19/h2-8,15H,9-14H2,1H3,(H,24,27)
InChIKeyGZPHHENPCQEJMO-UHFFFAOYSA-N
XLogP3.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86968785
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968929
1-(3-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 86968950
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 86968814
N-[4-oxo-4-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]butyl]thiophene-2-carboxamide
CID 86968886
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 86968889
(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
CID 86968796
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (CID 86968963) is 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is GZPHHENPCQEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-15(24-20(27)13-16-17(21)5-4-6-18(16)22)14-25-9-11-26(12-10-25)19-7-2-3-8-23-19/h2-8,15H,9-14H2,1H3,(H,24,27).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 407.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 86968963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).