4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide

C20H24N4O3 — CID 72933823

IUPAC4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2OCCc2ccccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-16(25)23-11-13-24(14-12-23)20(26)22-18-7-2-3-8-19(18)27-15-9-17-6-4-5-10-21-17/h2-8,10H,9,11-15H2,1H3,(H,22,26)
InChIKeyACGRZAHYZIXQKJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.40
Rot. Bonds5

About 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide

4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 72933823) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
PubChem CID72933823
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2OCCc2ccccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-16(25)23-11-13-24(14-12-23)20(26)22-18-7-2-3-8-19(18)27-15-9-17-6-4-5-10-21-17/h2-8,10H,9,11-15H2,1H3,(H,22,26)
InChIKeyACGRZAHYZIXQKJ-UHFFFAOYSA-N
XLogP2.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide
CID 72875793
2-cyano-N-[2-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 168521174
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
CID 72941426
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide (CID 72933823) is 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccccc2OCCc2ccccn2)CC1.
What is the InChIKey of 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ACGRZAHYZIXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-16(25)23-11-13-24(14-12-23)20(26)22-18-7-2-3-8-19(18)27-15-9-17-6-4-5-10-21-17/h2-8,10H,9,11-15H2,1H3,(H,22,26).
What are the key properties of 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide?
4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 72933823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).