2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide

C24H29ClN2O3 — CID 50846541

IUPAC2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1OCC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C24H29ClN2O3/c1-17(2)26-24(29)20-8-4-6-10-22(20)30-16-18-11-13-27(14-12-18)23(28)15-19-7-3-5-9-21(19)25/h3-10,17-18H,11-16H2,1-2H3,(H,26,29)
InChIKeyJDUHMMCKAJUKRF-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.34
Rot. Bonds7

About 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide

2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 50846541) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID50846541
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1OCC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C24H29ClN2O3/c1-17(2)26-24(29)20-8-4-6-10-22(20)30-16-18-11-13-27(14-12-18)23(28)15-19-7-3-5-9-21(19)25/h3-10,17-18H,11-16H2,1-2H3,(H,26,29)
InChIKeyJDUHMMCKAJUKRF-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide
CID 11236581
N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide
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2-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
CID 132247303
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CID 132256734
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidin-1-yl]methanone
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CID 132257139
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(3-fluorophenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 138692460

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide (CID 50846541) is 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1OCC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is JDUHMMCKAJUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-17(2)26-24(29)20-8-4-6-10-22(20)30-16-18-11-13-27(14-12-18)23(28)15-19-7-3-5-9-21(19)25/h3-10,17-18H,11-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 428.96 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50846541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).