1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one

C14H19N2OP — CID 59550564

IUPAC1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one
SMILESO=C1NCCCC12CCN(P)c1ccccc1C2
InChIInChI=1S/C14H19N2OP/c17-13-14(6-3-8-15-13)7-9-16(18)12-5-2-1-4-11(12)10-14/h1-2,4-5H,3,6-10,18H2,(H,15,17)
InChIKeyIEMQOZBVQIUPQK-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.13
Rot. Bonds

About 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one

1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one (PubChem CID 59550564) has the molecular formula C14H19N2OP and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one.

Molecular Properties

Compound Name1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one
PubChem CID59550564
Molecular FormulaC14H19N2OP
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one
SMILESO=C1NCCCC12CCN(P)c1ccccc1C2
InChIInChI=1S/C14H19N2OP/c17-13-14(6-3-8-15-13)7-9-16(18)12-5-2-1-4-11(12)10-14/h1-2,4-5H,3,6-10,18H2,(H,15,17)
InChIKeyIEMQOZBVQIUPQK-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one
CID 24963901
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
ethyl 2'-oxo-1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentane]-1'-carboxylate
CID 59550601
3-methyl-1-[2-oxo-2-[(5S)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-4H-quinazolin-2-one
CID 97115698
spiro[3H-indene-2,3'-piperidine]-1,2'-dione
CID 121207629
1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 134788002
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385
9-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 118962963
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
2,8-diazaspiro[5.5]undecan-1-one
CID 45074354
(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97112209
2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 143201235

Frequently Asked Questions

What is the IUPAC name of 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one?
The IUPAC name of 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one (CID 59550564) is 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one.
What is the SMILES notation for 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one?
The canonical SMILES for 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one is O=C1NCCCC12CCN(P)c1ccccc1C2.
What is the InChIKey of 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one?
The InChIKey is IEMQOZBVQIUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2OP/c17-13-14(6-3-8-15-13)7-9-16(18)12-5-2-1-4-11(12)10-14/h1-2,4-5H,3,6-10,18H2,(H,15,17).
What are the key properties of 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one?
1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one has a molecular weight of 262.29 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one is sourced from PubChem (CID 59550564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).