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

C19H21ClN4O3 — CID 53174916

IUPACN-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C19H21ClN4O3/c1-14(25)22-16-4-7-18(21-12-16)27-13-19(26)24-10-8-23(9-11-24)17-5-2-15(20)3-6-17/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyRHWMWKNCPVBQKO-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.42
Rot. Bonds5

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

N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide (PubChem CID 53174916) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
PubChem CID53174916
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C19H21ClN4O3/c1-14(25)22-16-4-7-18(21-12-16)27-13-19(26)24-10-8-23(9-11-24)17-5-2-15(20)3-6-17/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyRHWMWKNCPVBQKO-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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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide (CID 53174916) is N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
The InChIKey is RHWMWKNCPVBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-14(25)22-16-4-7-18(21-12-16)27-13-19(26)24-10-8-23(9-11-24)17-5-2-15(20)3-6-17/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide?
N-[6-[2-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 53174916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).