3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea

C27H42N4O2 — CID 59433786

IUPAC3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCC2(CCN(C3CCN(C(=O)C(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H42N4O2/c1-26(2,3)24(32)31-16-11-20(12-17-31)30-18-14-27(15-19-30)13-10-23(28-25(33)29(4)5)21-8-6-7-9-22(21)27/h6-9,20,23H,10-19H2,1-5H3,(H,28,33)/t23-/m1/s1
InChIKeyWRQNTHXZCCBHEX-HSZRJFAPSA-N
MW454.66 g/mol
LogP4.16
Rot. Bonds2

About 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea

3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea (PubChem CID 59433786) has the molecular formula C27H42N4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
PubChem CID59433786
Molecular FormulaC27H42N4O2
Molecular Weight454.66 g/mol
Exact Mass454.33
IUPAC Name3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@@H]1CCC2(CCN(C3CCN(C(=O)C(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H42N4O2/c1-26(2,3)24(32)31-16-11-20(12-17-31)30-18-14-27(15-19-30)13-10-23(28-25(33)29(4)5)21-8-6-7-9-22(21)27/h6-9,20,23H,10-19H2,1-5H3,(H,28,33)/t23-/m1/s1
InChIKeyWRQNTHXZCCBHEX-HSZRJFAPSA-N
XLogP4.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea 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 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea (CID 59433786) is 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea is CN(C)C(=O)N[C@@H]1CCC2(CCN(C3CCN(C(=O)C(C)(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The InChIKey is WRQNTHXZCCBHEX-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H42N4O2/c1-26(2,3)24(32)31-16-11-20(12-17-31)30-18-14-27(15-19-30)13-10-23(28-25(33)29(4)5)21-8-6-7-9-22(21)27/h6-9,20,23H,10-19H2,1-5H3,(H,28,33)/t23-/m1/s1.
What are the key properties of 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea has a molecular weight of 454.66 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1'-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea is sourced from PubChem (CID 59433786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).