N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide

C20H24N2O4 — CID 18587465

IUPACN-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide
SMILESCC(C)(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)22(19(25)21-11-7-4-8-12-21)18(24)17-13-15(23)14-9-5-6-10-16(14)26-17/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3
InChIKeyXXINHVAJHJMALD-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.64
Rot. Bonds1

About N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide

N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide (PubChem CID 18587465) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide
PubChem CID18587465
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide
SMILESCC(C)(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)22(19(25)21-11-7-4-8-12-21)18(24)17-13-15(23)14-9-5-6-10-16(14)26-17/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3
InChIKeyXXINHVAJHJMALD-UHFFFAOYSA-N
XLogP3.64
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide (CID 18587465) is N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide is CC(C)(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(=O)N1CCCCC1.
What is the InChIKey of N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is XXINHVAJHJMALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)22(19(25)21-11-7-4-8-12-21)18(24)17-13-15(23)14-9-5-6-10-16(14)26-17/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide?
N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-oxochromene-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 18587465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).