2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C20H25ClN4O3 — CID 42098424

IUPAC2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2nccn2C)CC1
InChIInChI=1S/C20H25ClN4O3/c1-14(26)25-9-6-16(7-10-25)28-18-5-4-15(21)12-17(18)20(27)24(3)13-19-22-8-11-23(19)2/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3
InChIKeyMRULRWUGBRGWQQ-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.74
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 42098424) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID42098424
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2nccn2C)CC1
InChIInChI=1S/C20H25ClN4O3/c1-14(26)25-9-6-16(7-10-25)28-18-5-4-15(21)12-17(18)20(27)24(3)13-19-22-8-11-23(19)2/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3
InChIKeyMRULRWUGBRGWQQ-UHFFFAOYSA-N
XLogP2.74
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 42098424) is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2nccn2C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is MRULRWUGBRGWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-14(26)25-9-6-16(7-10-25)28-18-5-4-15(21)12-17(18)20(27)24(3)13-19-22-8-11-23(19)2/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 42098424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).