4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane

C23H43N3O — CID 171641189

IUPAC4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane
SMILESCC(C)(C)CN1CCN(CC2CCC(OC3CCNCC3)CC2)CC12CC2
InChIInChI=1S/C23H43N3O/c1-22(2,3)17-26-15-14-25(18-23(26)10-11-23)16-19-4-6-20(7-5-19)27-21-8-12-24-13-9-21/h19-21,24H,4-18H2,1-3H3
InChIKeyOOEMLPONWGQXBF-UHFFFAOYSA-N
MW377.62 g/mol
LogP3.51
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane

4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane (PubChem CID 171641189) has the molecular formula C23H43N3O and a molecular weight of 377.62 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane
PubChem CID171641189
Molecular FormulaC23H43N3O
Molecular Weight377.62 g/mol
Exact Mass377.34
IUPAC Name4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane
SMILESCC(C)(C)CN1CCN(CC2CCC(OC3CCNCC3)CC2)CC12CC2
InChIInChI=1S/C23H43N3O/c1-22(2,3)17-26-15-14-25(18-23(26)10-11-23)16-19-4-6-20(7-5-19)27-21-8-12-24-13-9-21/h19-21,24H,4-18H2,1-3H3
InChIKeyOOEMLPONWGQXBF-UHFFFAOYSA-N
XLogP3.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane with MolForge

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Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
CID 171641363
6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
CID 171641851
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
N-methyl-2-(4-piperidin-4-yloxycyclohexyl)ethanamine
CID 171641847
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine
CID 117046296
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
CID 119931795

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane (CID 171641189) is 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane is CC(C)(C)CN1CCN(CC2CCC(OC3CCNCC3)CC2)CC12CC2.
What is the InChIKey of 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane?
The InChIKey is OOEMLPONWGQXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O/c1-22(2,3)17-26-15-14-25(18-23(26)10-11-23)16-19-4-6-20(7-5-19)27-21-8-12-24-13-9-21/h19-21,24H,4-18H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane?
4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane has a molecular weight of 377.62 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-7-[(4-piperidin-4-yloxycyclohexyl)methyl]-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 171641189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).