(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate

C14H17N3O3 — CID 140938266

IUPAC(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate
SMILESNC(=O)Oc1ccc2c(c1)CNC(=O)C21CCNCC1
InChIInChI=1S/C14H17N3O3/c15-13(19)20-10-1-2-11-9(7-10)8-17-12(18)14(11)3-5-16-6-4-14/h1-2,7,16H,3-6,8H2,(H2,15,19)(H,17,18)
InChIKeyPZGHWKVGCUVBJK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.40
Rot. Bonds1

About (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate

(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate (PubChem CID 140938266) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate.

Molecular Properties

Compound Name(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate
PubChem CID140938266
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate
SMILESNC(=O)Oc1ccc2c(c1)CNC(=O)C21CCNCC1
InChIInChI=1S/C14H17N3O3/c15-13(19)20-10-1-2-11-9(7-10)8-17-12(18)14(11)3-5-16-6-4-14/h1-2,7,16H,3-6,8H2,(H2,15,19)(H,17,18)
InChIKeyPZGHWKVGCUVBJK-UHFFFAOYSA-N
XLogP0.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate?
The IUPAC name of (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate (CID 140938266) is (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate.
What is the SMILES notation for (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate?
The canonical SMILES for (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate is NC(=O)Oc1ccc2c(c1)CNC(=O)C21CCNCC1.
What is the InChIKey of (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate?
The InChIKey is PZGHWKVGCUVBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-13(19)20-10-1-2-11-9(7-10)8-17-12(18)14(11)3-5-16-6-4-14/h1-2,7,16H,3-6,8H2,(H2,15,19)(H,17,18).
What are the key properties of (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate?
(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate has a molecular weight of 275.31 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate is sourced from PubChem (CID 140938266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).