7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane

C21H32N2 — CID 175904053

IUPAC7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane
SMILES[2H]N1CCC2(CC1)CC(N1CCCC1c1ccccc1C(C)C)C2
InChIInChI=1S/C21H32N2/c1-16(2)18-6-3-4-7-19(18)20-8-5-13-23(20)17-14-21(15-17)9-11-22-12-10-21/h3-4,6-7,16-17,20,22H,5,8-15H2,1-2H3/i/hD
InChIKeyPMPBSUUHIYUFPT-DYCDLGHISA-N
MW313.51 g/mol
LogP4.48
Rot. Bonds3

About 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane

7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane (PubChem CID 175904053) has the molecular formula C21H32N2 and a molecular weight of 313.51 g/mol. Its IUPAC name is 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane
PubChem CID175904053
Molecular FormulaC21H32N2
Molecular Weight313.51 g/mol
Exact Mass313.26
IUPAC Name7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane
SMILES[2H]N1CCC2(CC1)CC(N1CCCC1c1ccccc1C(C)C)C2
InChIInChI=1S/C21H32N2/c1-16(2)18-6-3-4-7-19(18)20-8-5-13-23(20)17-14-21(15-17)9-11-22-12-10-21/h3-4,6-7,16-17,20,22H,5,8-15H2,1-2H3/i/hD
InChIKeyPMPBSUUHIYUFPT-DYCDLGHISA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane (CID 175904053) is 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane is [2H]N1CCC2(CC1)CC(N1CCCC1c1ccccc1C(C)C)C2.
What is the InChIKey of 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane?
The InChIKey is PMPBSUUHIYUFPT-DYCDLGHISA-N. The full InChI is InChI=1S/C21H32N2/c1-16(2)18-6-3-4-7-19(18)20-8-5-13-23(20)17-14-21(15-17)9-11-22-12-10-21/h3-4,6-7,16-17,20,22H,5,8-15H2,1-2H3/i/hD.
What are the key properties of 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane?
7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane has a molecular weight of 313.51 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 175904053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).