2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide

C25H33N3O3 — CID 91280162

IUPAC2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide
SMILESCc1c(C)c(N)c(C)c(OC(C)C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C25H33N3O3/c1-15-16(2)22(26)18(4)23(17(15)3)31-19(5)24(29)27-21-11-13-28(14-12-21)25(30)20-9-7-6-8-10-20/h6-10,19,21H,11-14,26H2,1-5H3,(H,27,29)
InChIKeyRSGCOEZUADNUJF-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.69
Rot. Bonds5

About 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide

2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide (PubChem CID 91280162) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide
PubChem CID91280162
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide
SMILESCc1c(C)c(N)c(C)c(OC(C)C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C25H33N3O3/c1-15-16(2)22(26)18(4)23(17(15)3)31-19(5)24(29)27-21-11-13-28(14-12-21)25(30)20-9-7-6-8-10-20/h6-10,19,21H,11-14,26H2,1-5H3,(H,27,29)
InChIKeyRSGCOEZUADNUJF-UHFFFAOYSA-N
XLogP3.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2,3,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 10202552
2-(4-amino-2,3,5-trimethylphenoxy)-N-[1-(3-phenylcyclobutyl)piperidin-4-yl]propanamide
CID 163512958
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide (CID 91280162) is 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide is Cc1c(C)c(N)c(C)c(OC(C)C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide?
The InChIKey is RSGCOEZUADNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-15-16(2)22(26)18(4)23(17(15)3)31-19(5)24(29)27-21-11-13-28(14-12-21)25(30)20-9-7-6-8-10-20/h6-10,19,21H,11-14,26H2,1-5H3,(H,27,29).
What are the key properties of 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide?
2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide has a molecular weight of 423.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,4,5,6-tetramethylphenoxy)-N-(1-benzoylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91280162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).