N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide

C25H32N2O4 — CID 108553309

IUPACN-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1cccc(C(=O)N2CCC(NC(=O)C(C)Oc3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C25H32N2O4/c1-17(2)19-8-10-22(11-9-19)31-18(3)24(28)26-21-12-14-27(15-13-21)25(29)20-6-5-7-23(16-20)30-4/h5-11,16-18,21H,12-15H2,1-4H3,(H,26,28)
InChIKeyCERQJRJXRXUBBN-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.01
Rot. Bonds7

About N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide

N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108553309) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108553309
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1cccc(C(=O)N2CCC(NC(=O)C(C)Oc3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C25H32N2O4/c1-17(2)19-8-10-22(11-9-19)31-18(3)24(28)26-21-12-14-27(15-13-21)25(29)20-6-5-7-23(16-20)30-4/h5-11,16-18,21H,12-15H2,1-4H3,(H,26,28)
InChIKeyCERQJRJXRXUBBN-UHFFFAOYSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551131
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553323
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108553309) is N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide is COc1cccc(C(=O)N2CCC(NC(=O)C(C)Oc3ccc(C(C)C)cc3)CC2)c1.
What is the InChIKey of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is CERQJRJXRXUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17(2)19-8-10-22(11-9-19)31-18(3)24(28)26-21-12-14-27(15-13-21)25(29)20-6-5-7-23(16-20)30-4/h5-11,16-18,21H,12-15H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 424.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108553309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).