3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

C22H28N2O3 — CID 60600910

IUPAC3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-17-11-14-24(15-12-17)19-9-7-18(8-10-19)23-22(25)13-16-27-21-6-4-3-5-20(21)26-2/h3-10,17H,11-16H2,1-2H3,(H,23,25)
InChIKeyHKPOZRKMXFYPRZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.34
Rot. Bonds7

About 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 60600910) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID60600910
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-17-11-14-24(15-12-17)19-9-7-18(8-10-19)23-22(25)13-16-27-21-6-4-3-5-20(21)26-2/h3-10,17H,11-16H2,1-2H3,(H,23,25)
InChIKeyHKPOZRKMXFYPRZ-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
2-(2-cyanophenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9033723
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
methyl 2-[[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041342

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 60600910) is 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is COc1ccccc1OCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is HKPOZRKMXFYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-11-14-24(15-12-17)19-9-7-18(8-10-19)23-22(25)13-16-27-21-6-4-3-5-20(21)26-2/h3-10,17H,11-16H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 60600910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).