4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane

C18H26N2 — CID 64931427

IUPAC4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane
SMILESc1ccc(C2CNC3(CCCCC3)CN2C2CC2)cc1
InChIInChI=1S/C18H26N2/c1-3-7-15(8-4-1)17-13-19-18(11-5-2-6-12-18)14-20(17)16-9-10-16/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2
InChIKeyLDGICYLPAUZSBE-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.50
Rot. Bonds2

About 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane

4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64931427) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane
PubChem CID64931427
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane
SMILESc1ccc(C2CNC3(CCCCC3)CN2C2CC2)cc1
InChIInChI=1S/C18H26N2/c1-3-7-15(8-4-1)17-13-19-18(11-5-2-6-12-18)14-20(17)16-9-10-16/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2
InChIKeyLDGICYLPAUZSBE-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Related Compounds

1,5-dicyclopropyl-5-methyl-2-phenylpiperazine
CID 64930453
9-(1-cyclopropylethyl)-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64933473
1-cyclobutyl-5-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64948501
1-cyclopentyl-5-ethyl-5-methyl-2-phenylpiperazine
CID 64932022
9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64939513
3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932194
(3S)-3-phenyl-1-azaspiro[4.5]decane
CID 129366123
1-cyclobutyl-2-phenylpiperazine
CID 64931514
1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 64878204
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612
5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine
CID 103064937

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane (CID 64931427) is 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane is c1ccc(C2CNC3(CCCCC3)CN2C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is LDGICYLPAUZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-7-15(8-4-1)17-13-19-18(11-5-2-6-12-18)14-20(17)16-9-10-16/h1,3-4,7-8,16-17,19H,2,5-6,9-14H2.
What are the key properties of 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane?
4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 270.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64931427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).