N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide

C21H30N4O3 — CID 44579550

IUPACN-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12
InChIInChI=1S/C21H30N4O3/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)17-7-3-4-8-18(17)22-19(26)28-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26)
InChIKeyDKRBMKQSQUOOTF-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.08
Rot. Bonds3

About N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide

N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide (PubChem CID 44579550) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
PubChem CID44579550
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12
InChIInChI=1S/C21H30N4O3/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)17-7-3-4-8-18(17)22-19(26)28-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26)
InChIKeyDKRBMKQSQUOOTF-UHFFFAOYSA-N
XLogP3.08
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide (CID 44579550) is N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12.
What is the InChIKey of N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is DKRBMKQSQUOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)17-7-3-4-8-18(17)22-19(26)28-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26).
What are the key properties of N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide?
N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44579550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).