(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone

C20H36N2O — CID 170373750

IUPAC(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
SMILESCC1CCN(C(=O)C2CCC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C20H36N2O/c1-16(2)21-14-10-20(11-15-21)8-4-18(5-9-20)19(23)22-12-6-17(3)7-13-22/h16-18H,4-15H2,1-3H3
InChIKeyUDGCJGIGDRCSNZ-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.93
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone

(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 170373750) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID170373750
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
SMILESCC1CCN(C(=O)C2CCC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C20H36N2O/c1-16(2)21-14-10-20(11-15-21)8-4-18(5-9-20)19(23)22-12-6-17(3)7-13-22/h16-18H,4-15H2,1-3H3
InChIKeyUDGCJGIGDRCSNZ-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone (CID 170373750) is (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone is CC1CCN(C(=O)C2CCC3(CC2)CCN(C(C)C)CC3)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is UDGCJGIGDRCSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-16(2)21-14-10-20(11-15-21)8-4-18(5-9-20)19(23)22-12-6-17(3)7-13-22/h16-18H,4-15H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone?
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 320.52 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 170373750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).