3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide

C20H33N3O3 — CID 45216957

IUPAC3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide
SMILESCC(C)(C)N1CC(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)CC1=O
InChIInChI=1S/C20H33N3O3/c1-20(2,3)23-13-15(12-18(23)25)19(26)22-10-8-14(9-11-22)4-7-17(24)21-16-5-6-16/h14-16H,4-13H2,1-3H3,(H,21,24)
InChIKeyIBFHQLYBSMJLSB-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.93
Rot. Bonds5

About 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide

3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide (PubChem CID 45216957) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide
PubChem CID45216957
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide
SMILESCC(C)(C)N1CC(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)CC1=O
InChIInChI=1S/C20H33N3O3/c1-20(2,3)23-13-15(12-18(23)25)19(26)22-10-8-14(9-11-22)4-7-17(24)21-16-5-6-16/h14-16H,4-13H2,1-3H3,(H,21,24)
InChIKeyIBFHQLYBSMJLSB-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide (CID 45216957) is 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide is CC(C)(C)N1CC(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)CC1=O.
What is the InChIKey of 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide?
The InChIKey is IBFHQLYBSMJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-20(2,3)23-13-15(12-18(23)25)19(26)22-10-8-14(9-11-22)4-7-17(24)21-16-5-6-16/h14-16H,4-13H2,1-3H3,(H,21,24).
What are the key properties of 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide?
3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide has a molecular weight of 363.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 45216957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).