(2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

C26H28N4O2 — CID 58551309

IUPAC(2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
SMILESO=C(c1ccnc(N2CCCCC2)c1)N1CCC2(CC1)Oc1ccccc1-n1cccc12
InChIInChI=1S/C26H28N4O2/c31-25(20-10-13-27-24(19-20)28-14-4-1-5-15-28)29-17-11-26(12-18-29)23-9-6-16-30(23)21-7-2-3-8-22(21)32-26/h2-3,6-10,13,16,19H,1,4-5,11-12,14-15,17-18H2
InChIKeyQYXCAQXDSNETTB-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.39
Rot. Bonds2

About (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

(2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (PubChem CID 58551309) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone.

Molecular Properties

Compound Name(2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
PubChem CID58551309
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name(2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
SMILESO=C(c1ccnc(N2CCCCC2)c1)N1CCC2(CC1)Oc1ccccc1-n1cccc12
InChIInChI=1S/C26H28N4O2/c31-25(20-10-13-27-24(19-20)28-14-4-1-5-15-28)29-17-11-26(12-18-29)23-9-6-16-30(23)21-7-2-3-8-22(21)32-26/h2-3,6-10,13,16,19H,1,4-5,11-12,14-15,17-18H2
InChIKeyQYXCAQXDSNETTB-UHFFFAOYSA-N
XLogP4.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?
The IUPAC name of (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (CID 58551309) is (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone.
What is the SMILES notation for (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?
The canonical SMILES for (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is O=C(c1ccnc(N2CCCCC2)c1)N1CCC2(CC1)Oc1ccccc1-n1cccc12.
What is the InChIKey of (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?
The InChIKey is QYXCAQXDSNETTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(20-10-13-27-24(19-20)28-14-4-1-5-15-28)29-17-11-26(12-18-29)23-9-6-16-30(23)21-7-2-3-8-22(21)32-26/h2-3,6-10,13,16,19H,1,4-5,11-12,14-15,17-18H2.
What are the key properties of (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?
(2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone has a molecular weight of 428.54 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is sourced from PubChem (CID 58551309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).