3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one

C21H36N2O2 — CID 134403351

IUPAC3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1CCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C21H36N2O2/c1-15-14-17(21(5,6)7)19(25)23(15)13-10-18(24)22-11-8-16(9-12-22)20(2,3)4/h16-17H,1,8-14H2,2-7H3
InChIKeyUBUGVHKEHNTTCM-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.07
Rot. Bonds3

About 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one

3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one (PubChem CID 134403351) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one
PubChem CID134403351
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)C)C(=O)N1CCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C21H36N2O2/c1-15-14-17(21(5,6)7)19(25)23(15)13-10-18(24)22-11-8-16(9-12-22)20(2,3)4/h16-17H,1,8-14H2,2-7H3
InChIKeyUBUGVHKEHNTTCM-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

(4R,5R)-4-methyl-9-piperidin-1-yl-2-prop-2-enyl-2-azaspiro[4.4]non-8-en-1-one
CID 10540300
N-ethyl-3-(3-ethyl-5-methylidene-2-oxopyrrolidin-1-yl)-N-methylpropanamide
CID 126552128
3-tert-butyl-5-methylidene-1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]pyrrolidin-2-one
CID 134403327
3-Tert-butyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
CID 134565086
3-Tert-butyl-1-(2,2-dimethylpropyl)-5-methylidenepyrrolidin-2-one
CID 134576796
1,3-Dimethyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one
CID 144804574
3-Tert-butyl-1-ethyl-5-methylidenepyrrolidin-2-one
CID 148038676
3-Tert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
CID 158976681

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one?
The IUPAC name of 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one (CID 134403351) is 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one is C=C1CC(C(C)(C)C)C(=O)N1CCC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one?
The InChIKey is UBUGVHKEHNTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-15-14-17(21(5,6)7)19(25)23(15)13-10-18(24)22-11-8-16(9-12-22)20(2,3)4/h16-17H,1,8-14H2,2-7H3.
What are the key properties of 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one?
3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one has a molecular weight of 348.53 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 134403351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).