N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide

C24H23ClN4O3 — CID 42849984

IUPACN-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1ccccc1
InChIInChI=1S/C24H23ClN4O3/c25-19-6-9-21(10-7-19)32-17-23(30)29-14-12-28(13-15-29)22-11-8-20(16-26-22)27-24(31)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,31)
InChIKeyMLLXSLJPGZGFOC-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.71
Rot. Bonds6

About N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide

N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 42849984) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID42849984
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC NameN-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1ccccc1
InChIInChI=1S/C24H23ClN4O3/c25-19-6-9-21(10-7-19)32-17-23(30)29-14-12-28(13-15-29)22-11-8-20(16-26-22)27-24(31)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,31)
InChIKeyMLLXSLJPGZGFOC-UHFFFAOYSA-N
XLogP3.71
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
N-[6-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 42857079
4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850042
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
2-(4-chlorophenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78772499
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053043
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
2-(4-chlorophenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279224

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 42849984) is N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1ccccc1.
What is the InChIKey of N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is MLLXSLJPGZGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c25-19-6-9-21(10-7-19)32-17-23(30)29-14-12-28(13-15-29)22-11-8-20(16-26-22)27-24(31)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,31).
What are the key properties of N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide?
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 450.93 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 42849984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).