(3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone

C18H30N2O — CID 177087652

IUPAC(3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CC(C2CCN(C(=O)C34CC(C)(C3)C4)CC2)C1
InChIInChI=1S/C18H30N2O/c1-13(2)20-8-15(9-20)14-4-6-19(7-5-14)16(21)18-10-17(3,11-18)12-18/h13-15H,4-12H2,1-3H3
InChIKeyFGAITVKJBADDSZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.76
Rot. Bonds3

About (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone

(3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone (PubChem CID 177087652) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone
PubChem CID177087652
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CC(C2CCN(C(=O)C34CC(C)(C3)C4)CC2)C1
InChIInChI=1S/C18H30N2O/c1-13(2)20-8-15(9-20)14-4-6-19(7-5-14)16(21)18-10-17(3,11-18)12-18/h13-15H,4-12H2,1-3H3
InChIKeyFGAITVKJBADDSZ-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

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CID 164996340
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(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone (CID 177087652) is (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone is CC(C)N1CC(C2CCN(C(=O)C34CC(C)(C3)C4)CC2)C1.
What is the InChIKey of (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone?
The InChIKey is FGAITVKJBADDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)20-8-15(9-20)14-4-6-19(7-5-14)16(21)18-10-17(3,11-18)12-18/h13-15H,4-12H2,1-3H3.
What are the key properties of (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone?
(3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone has a molecular weight of 290.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-bicyclo[1.1.1]pentanyl)-[4-(1-propan-2-ylazetidin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 177087652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).