1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

C17H28N6O2 — CID 70758026

IUPAC1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCN(CCn3cncn3)CC2)CC1=O
InChIInChI=1S/C17H28N6O2/c1-17(2,3)23-11-14(10-15(23)24)16(25)21-7-4-20(5-8-21)6-9-22-13-18-12-19-22/h12-14H,4-11H2,1-3H3
InChIKeyNSFOGXQEORUAEG-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.07
Rot. Bonds4

About 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70758026) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID70758026
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(C(=O)N2CCN(CCn3cncn3)CC2)CC1=O
InChIInChI=1S/C17H28N6O2/c1-17(2,3)23-11-14(10-15(23)24)16(25)21-7-4-20(5-8-21)6-9-22-13-18-12-19-22/h12-14H,4-11H2,1-3H3
InChIKeyNSFOGXQEORUAEG-UHFFFAOYSA-N
XLogP0.07
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[3-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 53619246
1-[3-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 56780658
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 100232614
(3R)-3-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 99843538
(3S)-3-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 99843539
3-[4-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 121518856
3,7-dimethyl-11-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecane
CID 56746751
1-{1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56875433
4-(1-pyrrolidinylcarbonyl)-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]piperidine
CID 70741162
2-[2-Oxo-4-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]butanamide
CID 22387205
(2S)-2-[2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1-pyrrolidinyl]butanamide
CID 57478743

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 70758026) is 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1CC(C(=O)N2CCN(CCn3cncn3)CC2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NSFOGXQEORUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-17(2,3)23-11-14(10-15(23)24)16(25)21-7-4-20(5-8-21)6-9-22-13-18-12-19-22/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70758026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).