3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane

C21H41N3 — CID 155184308

IUPAC3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC(CN2CCC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C21H41N3/c1-18(2)23-11-5-20(6-12-23)17-22-13-7-21(8-14-22)9-15-24(16-10-21)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyAGPYTFFIQJLRDF-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds4

About 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane

3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 155184308) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID155184308
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC(CN2CCC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C21H41N3/c1-18(2)23-11-5-20(6-12-23)17-22-13-7-21(8-14-22)9-15-24(16-10-21)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyAGPYTFFIQJLRDF-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane (CID 155184308) is 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane is CC(C)N1CCC(CN2CCC3(CC2)CCN(C(C)C)CC3)CC1.
What is the InChIKey of 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is AGPYTFFIQJLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-18(2)23-11-5-20(6-12-23)17-22-13-7-21(8-14-22)9-15-24(16-10-21)19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane?
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 335.58 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 155184308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).