N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide

C25H37FN2O — CID 143533016

IUPACN-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(CCC(C)(C)C)CC2)CC1(F)C1CC1
InChIInChI=1S/C25H37FN2O/c1-18(29)27-22-20-7-5-6-8-21(20)24(17-25(22,26)19-9-10-19)12-15-28(16-13-24)14-11-23(2,3)4/h5-8,19,22H,9-17H2,1-4H3,(H,27,29)/t22-,25?/m1/s1
InChIKeyHQUMVQPHWGLHME-UFUCKMQHSA-N
MW400.58 g/mol
LogP5.16
Rot. Bonds4

About N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide

N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 143533016) has the molecular formula C25H37FN2O and a molecular weight of 400.58 g/mol. Its IUPAC name is N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID143533016
Molecular FormulaC25H37FN2O
Molecular Weight400.58 g/mol
Exact Mass400.29
IUPAC NameN-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(CCC(C)(C)C)CC2)CC1(F)C1CC1
InChIInChI=1S/C25H37FN2O/c1-18(29)27-22-20-7-5-6-8-21(20)24(17-25(22,26)19-9-10-19)12-15-28(16-13-24)14-11-23(2,3)4/h5-8,19,22H,9-17H2,1-4H3,(H,27,29)/t22-,25?/m1/s1
InChIKeyHQUMVQPHWGLHME-UFUCKMQHSA-N
XLogP5.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide 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-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide (CID 143533016) is N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C2(CCN(CCC(C)(C)C)CC2)CC1(F)C1CC1.
What is the InChIKey of N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is HQUMVQPHWGLHME-UFUCKMQHSA-N. The full InChI is InChI=1S/C25H37FN2O/c1-18(29)27-22-20-7-5-6-8-21(20)24(17-25(22,26)19-9-10-19)12-15-28(16-13-24)14-11-23(2,3)4/h5-8,19,22H,9-17H2,1-4H3,(H,27,29)/t22-,25?/m1/s1.
What are the key properties of N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 400.58 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-cyclopropyl-1'-(3,3-dimethylbutyl)-2-fluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 143533016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).