2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide

C22H29ClN4O2 — CID 42857371

IUPAC2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCC(C)CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C22H29ClN4O2/c1-17(2)9-10-26-11-13-27(14-12-26)21-8-5-19(15-24-21)25-22(28)16-29-20-6-3-18(23)4-7-20/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,28)
InChIKeyUZLUDJLOEZRAEP-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.92
Rot. Bonds8

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

2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide (PubChem CID 42857371) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide
PubChem CID42857371
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCC(C)CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C22H29ClN4O2/c1-17(2)9-10-26-11-13-27(14-12-26)21-8-5-19(15-24-21)25-22(28)16-29-20-6-3-18(23)4-7-20/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,28)
InChIKeyUZLUDJLOEZRAEP-UHFFFAOYSA-N
XLogP3.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]acetamide
CID 113013135
1-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857808
2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 17459411
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenoxyacetamide
CID 46054009
N-[6-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857480
N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46053392
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide (CID 42857371) is 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide is CC(C)CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide?
The InChIKey is UZLUDJLOEZRAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c1-17(2)9-10-26-11-13-27(14-12-26)21-8-5-19(15-24-21)25-22(28)16-29-20-6-3-18(23)4-7-20/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide has a molecular weight of 416.95 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 42857371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).