3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide

C24H29ClN2O3 — CID 108550711

IUPAC3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H29ClN2O3/c1-16(2)21-9-4-5-10-22(21)30-17(3)24(29)27-13-11-20(12-14-27)26-23(28)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,28)
InChIKeyUESKVXKGFDBGQY-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.65
Rot. Bonds6

About 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108550711) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
PubChem CID108550711
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H29ClN2O3/c1-16(2)21-9-4-5-10-22(21)30-17(3)24(29)27-13-11-20(12-14-27)26-23(28)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,28)
InChIKeyUESKVXKGFDBGQY-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108558492
2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108548367
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide (CID 108550711) is 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide is CC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is UESKVXKGFDBGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-16(2)21-9-4-5-10-22(21)30-17(3)24(29)27-13-11-20(12-14-27)26-23(28)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 428.96 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108550711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).