1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide

C27H25N3O3 — CID 134051532

IUPAC1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1
InChIInChI=1S/C27H25N3O3/c31-25(29-16-8-9-19(17-29)27(33)28-20-10-2-1-3-11-20)18-30-23-14-6-4-12-21(23)26(32)22-13-5-7-15-24(22)30/h1-7,10-15,19H,8-9,16-18H2,(H,28,33)
InChIKeyIBWKWGWBKHJFDE-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide

1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 134051532) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
PubChem CID134051532
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1
InChIInChI=1S/C27H25N3O3/c31-25(29-16-8-9-19(17-29)27(33)28-20-10-2-1-3-11-20)18-30-23-14-6-4-12-21(23)26(32)22-13-5-7-15-24(22)30/h1-7,10-15,19H,8-9,16-18H2,(H,28,33)
InChIKeyIBWKWGWBKHJFDE-UHFFFAOYSA-N
XLogP4.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 18110525
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide (CID 134051532) is 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1.
What is the InChIKey of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is IBWKWGWBKHJFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25(29-16-8-9-19(17-29)27(33)28-20-10-2-1-3-11-20)18-30-23-14-6-4-12-21(23)26(32)22-13-5-7-15-24(22)30/h1-7,10-15,19H,8-9,16-18H2,(H,28,33).
What are the key properties of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide?
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 134051532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).