4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]

C18H27ClN2O — CID 90036015

IUPAC4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCOC(c1ccc(Cl)c2c1NCC21CCNCC1)C(C)(C)C
InChIInChI=1S/C18H27ClN2O/c1-17(2,3)16(22-4)12-5-6-13(19)14-15(12)21-11-18(14)7-9-20-10-8-18/h5-6,16,20-21H,7-11H2,1-4H3
InChIKeyIXACHNBQWSRIKY-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.12
Rot. Bonds2

About 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]

4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 90036015) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID90036015
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCOC(c1ccc(Cl)c2c1NCC21CCNCC1)C(C)(C)C
InChIInChI=1S/C18H27ClN2O/c1-17(2,3)16(22-4)12-5-6-13(19)14-15(12)21-11-18(14)7-9-20-10-8-18/h5-6,16,20-21H,7-11H2,1-4H3
InChIKeyIXACHNBQWSRIKY-UHFFFAOYSA-N
XLogP4.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-[2-[4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]thiourea
CID 90036207
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide
CID 90034539
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile
CID 153496993
3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704055
5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline
CID 164646221
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol
CID 146648264
(3,4-dichlorophenyl)-[4-(2-methoxy-2-methylpropyl)piperidin-4-yl]methanone
CID 44548083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine] (CID 90036015) is 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine] is COC(c1ccc(Cl)c2c1NCC21CCNCC1)C(C)(C)C.
What is the InChIKey of 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is IXACHNBQWSRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-17(2,3)16(22-4)12-5-6-13(19)14-15(12)21-11-18(14)7-9-20-10-8-18/h5-6,16,20-21H,7-11H2,1-4H3.
What are the key properties of 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 322.88 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 90036015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).