5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one

C29H52N4O2 — CID 129157362

IUPAC5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
SMILESCC(C)(C)CN1CC[C@@H](N2CC(CC(C)(C)CN3CCC(N4CCCCC4=O)CC3)CCC2=O)C1
InChIInChI=1S/C29H52N4O2/c1-28(2,3)21-31-17-13-25(20-31)33-19-23(9-10-27(33)35)18-29(4,5)22-30-15-11-24(12-16-30)32-14-7-6-8-26(32)34/h23-25H,6-22H2,1-5H3/t23?,25-/m1/s1
InChIKeyADTIUTWUBTXOAE-XSWBTSGESA-N
MW488.76 g/mol
LogP4.24
Rot. Bonds7

About 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one

5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one (PubChem CID 129157362) has the molecular formula C29H52N4O2 and a molecular weight of 488.76 g/mol. Its IUPAC name is 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
PubChem CID129157362
Molecular FormulaC29H52N4O2
Molecular Weight488.76 g/mol
Exact Mass488.41
IUPAC Name5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
SMILESCC(C)(C)CN1CC[C@@H](N2CC(CC(C)(C)CN3CCC(N4CCCCC4=O)CC3)CCC2=O)C1
InChIInChI=1S/C29H52N4O2/c1-28(2,3)21-31-17-13-25(20-31)33-19-23(9-10-27(33)35)18-29(4,5)22-30-15-11-24(12-16-30)32-14-7-6-8-26(32)34/h23-25H,6-22H2,1-5H3/t23?,25-/m1/s1
InChIKeyADTIUTWUBTXOAE-XSWBTSGESA-N
XLogP4.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.76
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one (CID 129157362) is 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one is CC(C)(C)CN1CC[C@@H](N2CC(CC(C)(C)CN3CCC(N4CCCCC4=O)CC3)CCC2=O)C1.
What is the InChIKey of 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
The InChIKey is ADTIUTWUBTXOAE-XSWBTSGESA-N. The full InChI is InChI=1S/C29H52N4O2/c1-28(2,3)21-31-17-13-25(20-31)33-19-23(9-10-27(33)35)18-29(4,5)22-30-15-11-24(12-16-30)32-14-7-6-8-26(32)34/h23-25H,6-22H2,1-5H3/t23?,25-/m1/s1.
What are the key properties of 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one has a molecular weight of 488.76 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-dimethyl-3-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propyl]-1-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 129157362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).