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

C20H25ClN4O3 — CID 42461419

IUPAC2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCn2ccnc2C)CC1
InChIInChI=1S/C20H25ClN4O3/c1-14-22-7-11-24(14)12-8-23-20(27)18-13-16(21)3-4-19(18)28-17-5-9-25(10-6-17)15(2)26/h3-4,7,11,13,17H,5-6,8-10,12H2,1-2H3,(H,23,27)
InChIKeyBMEMQTMDEOTYBV-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.66
Rot. Bonds6

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

2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide (PubChem CID 42461419) 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-[2-(2-methylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide
PubChem CID42461419
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCn2ccnc2C)CC1
InChIInChI=1S/C20H25ClN4O3/c1-14-22-7-11-24(14)12-8-23-20(27)18-13-16(21)3-4-19(18)28-17-5-9-25(10-6-17)15(2)26/h3-4,7,11,13,17H,5-6,8-10,12H2,1-2H3,(H,23,27)
InChIKeyBMEMQTMDEOTYBV-UHFFFAOYSA-N
XLogP2.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide
CID 42517368
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97284805
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
CID 131703162
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide
CID 110205066
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 42344586
1-[4-[4-chloro-2-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 45202036
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide (CID 42461419) is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide is CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCn2ccnc2C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide?
The InChIKey is BMEMQTMDEOTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-14-22-7-11-24(14)12-8-23-20(27)18-13-16(21)3-4-19(18)28-17-5-9-25(10-6-17)15(2)26/h3-4,7,11,13,17H,5-6,8-10,12H2,1-2H3,(H,23,27).
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide?
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 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-[2-(2-methylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 42461419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).