[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone

C30H54N4O2 — CID 140895374

IUPAC[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone
SMILESCN1C(C)(C)CC(C(=O)N2CCC(C3CCN(C(=O)C4CC(C)(C)N(C)C4(C)C)CC3)CC2)C1(C)C
InChIInChI=1S/C30H54N4O2/c1-27(2)19-23(29(5,6)31(27)9)25(35)33-15-11-21(12-16-33)22-13-17-34(18-14-22)26(36)24-20-28(3,4)32(10)30(24,7)8/h21-24H,11-20H2,1-10H3
InChIKeyWOKNCZLNBZHBAF-UHFFFAOYSA-N
MW502.79 g/mol
LogP4.48
Rot. Bonds3

About [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone

[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone (PubChem CID 140895374) has the molecular formula C30H54N4O2 and a molecular weight of 502.79 g/mol. Its IUPAC name is [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone
PubChem CID140895374
Molecular FormulaC30H54N4O2
Molecular Weight502.79 g/mol
Exact Mass502.42
IUPAC Name[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone
SMILESCN1C(C)(C)CC(C(=O)N2CCC(C3CCN(C(=O)C4CC(C)(C)N(C)C4(C)C)CC3)CC2)C1(C)C
InChIInChI=1S/C30H54N4O2/c1-27(2)19-23(29(5,6)31(27)9)25(35)33-15-11-21(12-16-33)22-13-17-34(18-14-22)26(36)24-20-28(3,4)32(10)30(24,7)8/h21-24H,11-20H2,1-10H3
InChIKeyWOKNCZLNBZHBAF-UHFFFAOYSA-N
XLogP4.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone (CID 140895374) is [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone is CN1C(C)(C)CC(C(=O)N2CCC(C3CCN(C(=O)C4CC(C)(C)N(C)C4(C)C)CC3)CC2)C1(C)C.
What is the InChIKey of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone?
The InChIKey is WOKNCZLNBZHBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N4O2/c1-27(2)19-23(29(5,6)31(27)9)25(35)33-15-11-21(12-16-33)22-13-17-34(18-14-22)26(36)24-20-28(3,4)32(10)30(24,7)8/h21-24H,11-20H2,1-10H3.
What are the key properties of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone?
[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone has a molecular weight of 502.79 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 140895374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).