4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide

C22H26ClN3O4 — CID 3195251

IUPAC4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H26ClN3O4/c1-29-19-13-18(25-22(28)15-6-8-16(23)9-7-15)20(30-2)12-17(19)24-21(27)14-26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGQWBPZMJINFMCG-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.03
Rot. Bonds7

About 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide

4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide (PubChem CID 3195251) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
PubChem CID3195251
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Name4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H26ClN3O4/c1-29-19-13-18(25-22(28)15-6-8-16(23)9-7-15)20(30-2)12-17(19)24-21(27)14-26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGQWBPZMJINFMCG-UHFFFAOYSA-N
XLogP4.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
CID 53352634
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetamide
CID 55864288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide (CID 3195251) is 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide is COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The InChIKey is GQWBPZMJINFMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-29-19-13-18(25-22(28)15-6-8-16(23)9-7-15)20(30-2)12-17(19)24-21(27)14-26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 3195251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).