1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine

C21H41N3 — CID 130450358

IUPAC1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
SMILESCC(C)N1CC(CC(C)N2CCC(CC(C)N3CCCCC3)C2)C1
InChIInChI=1S/C21H41N3/c1-17(2)24-15-21(16-24)13-19(4)23-11-8-20(14-23)12-18(3)22-9-6-5-7-10-22/h17-21H,5-16H2,1-4H3
InChIKeyDXQNENNFTBKALR-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds7

About 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine

1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine (PubChem CID 130450358) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
PubChem CID130450358
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
SMILESCC(C)N1CC(CC(C)N2CCC(CC(C)N3CCCCC3)C2)C1
InChIInChI=1S/C21H41N3/c1-17(2)24-15-21(16-24)13-19(4)23-11-8-20(14-23)12-18(3)22-9-6-5-7-10-22/h17-21H,5-16H2,1-4H3
InChIKeyDXQNENNFTBKALR-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine (CID 130450358) is 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine is CC(C)N1CC(CC(C)N2CCC(CC(C)N3CCCCC3)C2)C1.
What is the InChIKey of 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
The InChIKey is DXQNENNFTBKALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-17(2)24-15-21(16-24)13-19(4)23-11-8-20(14-23)12-18(3)22-9-6-5-7-10-22/h17-21H,5-16H2,1-4H3.
What are the key properties of 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine?
1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine has a molecular weight of 335.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine is sourced from PubChem (CID 130450358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).