N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide

C24H39N3O — CID 71167666

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)C1=C2CCC=C1
InChIInChI=1S/C24H39N3O/c1-23(2,3)10-15-26-16-11-24(12-17-26)18-21(19-8-4-5-9-20(19)24)25-22(28)27-13-6-7-14-27/h4,8,21H,5-7,9-18H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyVCYAOXQVFAKQFD-NRFANRHFSA-N
MW385.60 g/mol
LogP4.73
Rot. Bonds3

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide (PubChem CID 71167666) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide
PubChem CID71167666
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)C1=C2CCC=C1
InChIInChI=1S/C24H39N3O/c1-23(2,3)10-15-26-16-11-24(12-17-26)18-21(19-8-4-5-9-20(19)24)25-22(28)27-13-6-7-14-27/h4,8,21H,5-7,9-18H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyVCYAOXQVFAKQFD-NRFANRHFSA-N
XLogP4.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide (CID 71167666) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide is CC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)C1=C2CCC=C1.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide?
The InChIKey is VCYAOXQVFAKQFD-NRFANRHFSA-N. The full InChI is InChI=1S/C24H39N3O/c1-23(2,3)10-15-26-16-11-24(12-17-26)18-21(19-8-4-5-9-20(19)24)25-22(28)27-13-6-7-14-27/h4,8,21H,5-7,9-18H2,1-3H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide has a molecular weight of 385.60 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71167666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).