N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide

C17H31N3O2 — CID 119818276

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CC(=O)N(C(C)(C)C)C1)C1CCCNC1
InChIInChI=1S/C17H31N3O2/c1-12(13-6-5-7-18-10-13)8-15(21)19-14-9-16(22)20(11-14)17(2,3)4/h12-14,18H,5-11H2,1-4H3,(H,19,21)
InChIKeyUDXHELHRIAOXAG-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.53
Rot. Bonds4

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119818276) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
PubChem CID119818276
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CC(=O)N(C(C)(C)C)C1)C1CCCNC1
InChIInChI=1S/C17H31N3O2/c1-12(13-6-5-7-18-10-13)8-15(21)19-14-9-16(22)20(11-14)17(2,3)4/h12-14,18H,5-11H2,1-4H3,(H,19,21)
InChIKeyUDXHELHRIAOXAG-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119789629
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide (CID 119818276) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC1CC(=O)N(C(C)(C)C)C1)C1CCCNC1.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is UDXHELHRIAOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(13-6-5-7-18-10-13)8-15(21)19-14-9-16(22)20(11-14)17(2,3)4/h12-14,18H,5-11H2,1-4H3,(H,19,21).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 309.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119818276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).