N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide

C19H21ClN4O3 — CID 53174914

IUPACN-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C19H21ClN4O3/c1-14(25)22-15-6-7-18(21-12-15)27-13-19(26)24-10-8-23(9-11-24)17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyLEFGCYJWXMZKNG-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.42
Rot. Bonds5

About N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide

N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide (PubChem CID 53174914) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
PubChem CID53174914
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C19H21ClN4O3/c1-14(25)22-15-6-7-18(21-12-15)27-13-19(26)24-10-8-23(9-11-24)17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyLEFGCYJWXMZKNG-UHFFFAOYSA-N
XLogP2.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175013
N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53174982
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 71912556
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2995453
N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
CID 143176119
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide (CID 53174914) is N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3Cl)CC2)nc1.
What is the InChIKey of N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The InChIKey is LEFGCYJWXMZKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-14(25)22-15-6-7-18(21-12-15)27-13-19(26)24-10-8-23(9-11-24)17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide has a molecular weight of 388.86 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 53174914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).