1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C27H27N3O3S — CID 60599884

IUPAC1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C27H27N3O3S/c31-25(29-15-12-19(13-16-29)27(33)28-14-11-20-6-5-17-34-20)18-30-23-9-3-1-7-21(23)26(32)22-8-2-4-10-24(22)30/h1-10,17,19H,11-16,18H2,(H,28,33)
InChIKeyQRQFPJLQQMDZDD-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60599884) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60599884
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C27H27N3O3S/c31-25(29-15-12-19(13-16-29)27(33)28-14-11-20-6-5-17-34-20)18-30-23-9-3-1-7-21(23)26(32)22-8-2-4-10-24(22)30/h1-10,17,19H,11-16,18H2,(H,28,33)
InChIKeyQRQFPJLQQMDZDD-UHFFFAOYSA-N
XLogP3.81
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
N-cyclopropyl-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25345728
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60599884) is 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is QRQFPJLQQMDZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c31-25(29-15-12-19(13-16-29)27(33)28-14-11-20-6-5-17-34-20)18-30-23-9-3-1-7-21(23)26(32)22-8-2-4-10-24(22)30/h1-10,17,19H,11-16,18H2,(H,28,33).
What are the key properties of 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60599884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).