N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

C28H43N3O2 — CID 58033753

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCCN3CCCC3=O)c3ccccc32)CC1
InChIInChI=1S/C28H43N3O2/c1-27(2,3)14-19-30-20-15-28(16-21-30)13-12-24(22-8-4-5-9-23(22)28)29-25(32)10-6-17-31-18-7-11-26(31)33/h4-5,8-9,24H,6-7,10-21H2,1-3H3,(H,29,32)/t24-/m0/s1
InChIKeyTUXOFOMRMNWEMR-DEOSSOPVSA-N
MW453.67 g/mol
LogP4.81
Rot. Bonds7

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 58033753) has the molecular formula C28H43N3O2 and a molecular weight of 453.67 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID58033753
Molecular FormulaC28H43N3O2
Molecular Weight453.67 g/mol
Exact Mass453.34
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCCN3CCCC3=O)c3ccccc32)CC1
InChIInChI=1S/C28H43N3O2/c1-27(2,3)14-19-30-20-15-28(16-21-30)13-12-24(22-8-4-5-9-23(22)28)29-25(32)10-6-17-31-18-7-11-26(31)33/h4-5,8-9,24H,6-7,10-21H2,1-3H3,(H,29,32)/t24-/m0/s1
InChIKeyTUXOFOMRMNWEMR-DEOSSOPVSA-N
XLogP4.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.67
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 58033753) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCCN3CCCC3=O)c3ccccc32)CC1.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is TUXOFOMRMNWEMR-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H43N3O2/c1-27(2,3)14-19-30-20-15-28(16-21-30)13-12-24(22-8-4-5-9-23(22)28)29-25(32)10-6-17-31-18-7-11-26(31)33/h4-5,8-9,24H,6-7,10-21H2,1-3H3,(H,29,32)/t24-/m0/s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 453.67 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 58033753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).