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

C19H31N3O4 — CID 108558047

IUPACN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H31N3O4/c1-13(23)5-6-16(24)20-15-7-9-21(10-8-15)18(26)14-11-17(25)22(12-14)19(2,3)4/h14-15H,5-12H2,1-4H3,(H,20,24)
InChIKeyMDZLRXFGKCWCGB-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.11
Rot. Bonds5

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

N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide (PubChem CID 108558047) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
PubChem CID108558047
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC NameN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C19H31N3O4/c1-13(23)5-6-16(24)20-15-7-9-21(10-8-15)18(26)14-11-17(25)22(12-14)19(2,3)4/h14-15H,5-12H2,1-4H3,(H,20,24)
InChIKeyMDZLRXFGKCWCGB-UHFFFAOYSA-N
XLogP1.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
3-[1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 42508719
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557732
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553431
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine
CID 108564837
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108564916
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108532932
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide?
The IUPAC name of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide (CID 108558047) is N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide.
What is the SMILES notation for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide?
The canonical SMILES for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide is CC(=O)CCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide?
The InChIKey is MDZLRXFGKCWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-13(23)5-6-16(24)20-15-7-9-21(10-8-15)18(26)14-11-17(25)22(12-14)19(2,3)4/h14-15H,5-12H2,1-4H3,(H,20,24).
What are the key properties of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide?
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide has a molecular weight of 365.47 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide is sourced from PubChem (CID 108558047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).