7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C18H22N2O3 — CID 90952953

IUPAC7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2cccc(C(=O)N3CCCCC3)c21
InChIInChI=1S/C18H22N2O3/c21-16(20-11-2-1-3-12-20)13-5-4-6-14-15(13)17(22)23-18(14)7-9-19-10-8-18/h4-6,19H,1-3,7-12H2
InChIKeyAZGLUAHJRKZDNS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.06
Rot. Bonds1

About 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90952953) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90952953
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2cccc(C(=O)N3CCCCC3)c21
InChIInChI=1S/C18H22N2O3/c21-16(20-11-2-1-3-12-20)13-5-4-6-14-15(13)17(22)23-18(14)7-9-19-10-8-18/h4-6,19H,1-3,7-12H2
InChIKeyAZGLUAHJRKZDNS-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[1-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91368224
7-[1-(4-bromophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91055608
(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91311461
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone
CID 158455886
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
9H-fluoren-4-yl(pyrrolidin-1-yl)methanone
CID 1214982
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800

Frequently Asked Questions

What is the IUPAC name of 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90952953) is 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCNCC2)c2cccc(C(=O)N3CCCCC3)c21.
What is the InChIKey of 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is AZGLUAHJRKZDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16(20-11-2-1-3-12-20)13-5-4-6-14-15(13)17(22)23-18(14)7-9-19-10-8-18/h4-6,19H,1-3,7-12H2.
What are the key properties of 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 314.39 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90952953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).