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

C28H50N4O2 — CID 129157420

IUPAC1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
SMILESCC(C)(C)CN1CC(CC(C)(C)CN2CCC(N3CCCC3=O)CC2)[C@@H](N2CCCCC2=O)C1
InChIInChI=1S/C28H50N4O2/c1-27(2,3)20-30-18-22(24(19-30)32-13-7-6-9-26(32)34)17-28(4,5)21-29-15-11-23(12-16-29)31-14-8-10-25(31)33/h22-24H,6-21H2,1-5H3/t22?,24-/m0/s1
InChIKeyRARPXYHBINLPHQ-GITCGBDTSA-N
MW474.73 g/mol
LogP3.85
Rot. Bonds7

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

1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one (PubChem CID 129157420) has the molecular formula C28H50N4O2 and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
PubChem CID129157420
Molecular FormulaC28H50N4O2
Molecular Weight474.73 g/mol
Exact Mass474.39
IUPAC Name1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
SMILESCC(C)(C)CN1CC(CC(C)(C)CN2CCC(N3CCCC3=O)CC2)[C@@H](N2CCCCC2=O)C1
InChIInChI=1S/C28H50N4O2/c1-27(2,3)20-30-18-22(24(19-30)32-13-7-6-9-26(32)34)17-28(4,5)21-29-15-11-23(12-16-29)31-14-8-10-25(31)33/h22-24H,6-21H2,1-5H3/t22?,24-/m0/s1
InChIKeyRARPXYHBINLPHQ-GITCGBDTSA-N
XLogP3.85
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.73
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 164632501
1-(3-{4-[3-(4-Ethyl-1-piperazinyl)-3-oxopropyl]-1-piperidinyl}-3-oxopropyl)-2-pyrrolidinone
CID 28133852
5-{[4-(Cyclopentylmethyl)-1-piperazinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone
CID 45222454
2,2-Dimethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 56245789
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
(3S)-3-[2-[(4R)-3-[2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]ethyl]-4-methyl-2-oxopiperidin-1-yl]ethyl]-1,4-dimethylpiperazin-2-one
CID 134603104
4-Pyrrolidin-1-yl-1-[2-(4-pyrrolidin-1-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-8-yl]butan-1-one
CID 139355437
[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
Ethane;1-(1-methylpiperidin-4-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 141952696
3-[2-(2-Methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 156309780
2,7-Di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 159903033

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one (CID 129157420) is 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one is CC(C)(C)CN1CC(CC(C)(C)CN2CCC(N3CCCC3=O)CC2)[C@@H](N2CCCCC2=O)C1.
What is the InChIKey of 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
The InChIKey is RARPXYHBINLPHQ-GITCGBDTSA-N. The full InChI is InChI=1S/C28H50N4O2/c1-27(2,3)20-30-18-22(24(19-30)32-13-7-6-9-26(32)34)17-28(4,5)21-29-15-11-23(12-16-29)31-14-8-10-25(31)33/h22-24H,6-21H2,1-5H3/t22?,24-/m0/s1.
What are the key properties of 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one?
1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one has a molecular weight of 474.73 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 129157420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).