2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide

C23H27ClN2O4 — CID 112804073

IUPAC2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)C(C)Oc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H27ClN2O4/c1-3-29-20-9-7-17(8-10-20)23(28)26-13-11-19(12-14-26)25-22(27)16(2)30-21-6-4-5-18(24)15-21/h4-10,15-16,19H,3,11-14H2,1-2H3,(H,25,27)
InChIKeyPEUNVCNWQWFNPH-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.93
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide

2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 112804073) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID112804073
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)C(C)Oc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H27ClN2O4/c1-3-29-20-9-7-17(8-10-20)23(28)26-13-11-19(12-14-26)25-22(27)16(2)30-21-6-4-5-18(24)15-21/h4-10,15-16,19H,3,11-14H2,1-2H3,(H,25,27)
InChIKeyPEUNVCNWQWFNPH-UHFFFAOYSA-N
XLogP3.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.93
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
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 17483579
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553309
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551131

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide (CID 112804073) is 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)C(C)Oc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is PEUNVCNWQWFNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-3-29-20-9-7-17(8-10-20)23(28)26-13-11-19(12-14-26)25-22(27)16(2)30-21-6-4-5-18(24)15-21/h4-10,15-16,19H,3,11-14H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide?
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 430.93 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 112804073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).