[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone

C25H28N2O — CID 166623084

IUPAC[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(CC2CCNC2)cc1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C25H28N2O/c28-24(22-7-5-19(6-8-22)17-20-10-14-26-18-20)27-15-12-25(13-16-27)11-9-21-3-1-2-4-23(21)25/h1-9,11,20,26H,10,12-18H2
InChIKeySEPYEHFNSUGRLJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.04
Rot. Bonds3

About [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone

[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 166623084) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
PubChem CID166623084
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(CC2CCNC2)cc1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C25H28N2O/c28-24(22-7-5-19(6-8-22)17-20-10-14-26-18-20)27-15-12-25(13-16-27)11-9-21-3-1-2-4-23(21)25/h1-9,11,20,26H,10,12-18H2
InChIKeySEPYEHFNSUGRLJ-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166613267
3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
CID 11580728
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
CID 18539099
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
dimethyl (1S,5R)-3-[4-(pyrrolidin-3-ylmethyl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylate;hydrochloride
CID 171711060
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166618006
4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride
CID 171708094
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95711804
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024516
spiro[indene-1,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 119072765
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone (CID 166623084) is [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone is O=C(c1ccc(CC2CCNC2)cc1)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is SEPYEHFNSUGRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c28-24(22-7-5-19(6-8-22)17-20-10-14-26-18-20)27-15-12-25(13-16-27)11-9-21-3-1-2-4-23(21)25/h1-9,11,20,26H,10,12-18H2.
What are the key properties of [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 372.51 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 166623084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).