N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide

C20H21N3O3 — CID 162787856

IUPACN-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide
SMILESNc1ccc2oc3cc(NC(=O)CN4CCCCC4)ccc3c(=O)c2c1
InChIInChI=1S/C20H21N3O3/c21-13-4-7-17-16(10-13)20(25)15-6-5-14(11-18(15)26-17)22-19(24)12-23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12,21H2,(H,22,24)
InChIKeyXWVHNRLVBHWBQN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds3

About N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide

N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide (PubChem CID 162787856) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide
PubChem CID162787856
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide
SMILESNc1ccc2oc3cc(NC(=O)CN4CCCCC4)ccc3c(=O)c2c1
InChIInChI=1S/C20H21N3O3/c21-13-4-7-17-16(10-13)20(25)15-6-5-14(11-18(15)26-17)22-19(24)12-23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12,21H2,(H,22,24)
InChIKeyXWVHNRLVBHWBQN-UHFFFAOYSA-N
XLogP2.95
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide (CID 162787856) is N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide is Nc1ccc2oc3cc(NC(=O)CN4CCCCC4)ccc3c(=O)c2c1.
What is the InChIKey of N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide?
The InChIKey is XWVHNRLVBHWBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c21-13-4-7-17-16(10-13)20(25)15-6-5-14(11-18(15)26-17)22-19(24)12-23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12,21H2,(H,22,24).
What are the key properties of N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide?
N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 162787856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).