3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H29N3O — CID 127034554

IUPAC3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C24H29N3O/c25-23(28)27-16-20-7-2-1-6-19(20)15-21(27)17-26-13-11-24(12-14-26)10-9-18-5-3-4-8-22(18)24/h1-8,21H,9-17H2,(H2,25,28)
InChIKeyADEPJPWGRSNLTK-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.47
Rot. Bonds2

About 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 127034554) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID127034554
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C24H29N3O/c25-23(28)27-16-20-7-2-1-6-19(20)15-21(27)17-26-13-11-24(12-14-26)10-9-18-5-3-4-8-22(18)24/h1-8,21H,9-17H2,(H2,25,28)
InChIKeyADEPJPWGRSNLTK-UHFFFAOYSA-N
XLogP3.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 10309320
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586714
2-methyl-1-[(3R)-3-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 165172270
tert-butyl 3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71062411
5-bromo-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 11626062
[(3R)-3-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 167694651
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 141372707
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide
CID 53470097
N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
CID 10180240

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 127034554) is 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is ADEPJPWGRSNLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c25-23(28)27-16-20-7-2-1-6-19(20)15-21(27)17-26-13-11-24(12-14-26)10-9-18-5-3-4-8-22(18)24/h1-8,21H,9-17H2,(H2,25,28).
What are the key properties of 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 127034554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).