N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide

C24H29N3O4 — CID 69361211

IUPACN-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide
SMILESCOc1ccc(C(=O)c2cccc(N)c2NC(=O)CCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-18-13-11-17(12-14-18)24(30)19-7-5-8-20(25)23(19)26-21(28)9-6-10-22(29)27-15-3-2-4-16-27/h5,7-8,11-14H,2-4,6,9-10,15-16,25H2,1H3,(H,26,28)
InChIKeyIMSFJKISPPSZMD-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.63
Rot. Bonds8

About N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide

N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide (PubChem CID 69361211) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide
PubChem CID69361211
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide
SMILESCOc1ccc(C(=O)c2cccc(N)c2NC(=O)CCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-18-13-11-17(12-14-18)24(30)19-7-5-8-20(25)23(19)26-21(28)9-6-10-22(29)27-15-3-2-4-16-27/h5,7-8,11-14H,2-4,6,9-10,15-16,25H2,1H3,(H,26,28)
InChIKeyIMSFJKISPPSZMD-UHFFFAOYSA-N
XLogP3.63
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide
CID 69361664
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 69361254
N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
CID 69360071
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
1-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119415930
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 55905335
1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054626
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide (CID 69361211) is N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide is COc1ccc(C(=O)c2cccc(N)c2NC(=O)CCCC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide?
The InChIKey is IMSFJKISPPSZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-31-18-13-11-17(12-14-18)24(30)19-7-5-8-20(25)23(19)26-21(28)9-6-10-22(29)27-15-3-2-4-16-27/h5,7-8,11-14H,2-4,6,9-10,15-16,25H2,1H3,(H,26,28).
What are the key properties of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide?
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide has a molecular weight of 423.51 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 69361211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).