N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide

C23H24N2O3 — CID 55903636

IUPACN-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C23H24N2O3/c26-22(24-16-9-10-16)15-11-13-25(14-12-15)23(27)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)21/h1-8,15-16,21H,9-14H2,(H,24,26)
InChIKeyXDPWHUKTKSDLOL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.44
Rot. Bonds3

About N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide

N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide (PubChem CID 55903636) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
PubChem CID55903636
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C23H24N2O3/c26-22(24-16-9-10-16)15-11-13-25(14-12-15)23(27)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)21/h1-8,15-16,21H,9-14H2,(H,24,26)
InChIKeyXDPWHUKTKSDLOL-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide (CID 55903636) is N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide?
The InChIKey is XDPWHUKTKSDLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(24-16-9-10-16)15-11-13-25(14-12-15)23(27)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)21/h1-8,15-16,21H,9-14H2,(H,24,26).
What are the key properties of N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide?
N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55903636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).