1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one

C27H30N2O3 — CID 45222993

IUPAC1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC2=O)c1
InChIInChI=1S/C27H30N2O3/c1-32-23-7-4-5-20(17-23)18-29-19-22(9-10-25(29)30)26(31)28-15-13-27(14-16-28)12-11-21-6-2-3-8-24(21)27/h2-8,11-12,17,22H,9-10,13-16,18-19H2,1H3
InChIKeyCJLYBOKRSYVSGI-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.02
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one

1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one (PubChem CID 45222993) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
PubChem CID45222993
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
SMILESCOc1cccc(CN2CC(C(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC2=O)c1
InChIInChI=1S/C27H30N2O3/c1-32-23-7-4-5-20(17-23)18-29-19-22(9-10-25(29)30)26(31)28-15-13-27(14-16-28)12-11-21-6-2-3-8-24(21)27/h2-8,11-12,17,22H,9-10,13-16,18-19H2,1H3
InChIKeyCJLYBOKRSYVSGI-UHFFFAOYSA-N
XLogP4.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
CID 42532806
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-phenyl-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916258
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97150495
(4R)-1-[(3-methoxyphenyl)methyl]-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017912
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one (CID 45222993) is 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one is COc1cccc(CN2CC(C(=O)N3CCC4(C=Cc5ccccc54)CC3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
The InChIKey is CJLYBOKRSYVSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-32-23-7-4-5-20(17-23)18-29-19-22(9-10-25(29)30)26(31)28-15-13-27(14-16-28)12-11-21-6-2-3-8-24(21)27/h2-8,11-12,17,22H,9-10,13-16,18-19H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one has a molecular weight of 430.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one is sourced from PubChem (CID 45222993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).