1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

C16H26N6O2 — CID 91840554

IUPAC1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCN(CCn3cncn3)CC2)C1(C)C
InChIInChI=1S/C16H26N6O2/c1-16(2)13(10-14(23)19(16)3)15(24)21-7-4-20(5-8-21)6-9-22-12-17-11-18-22/h11-13H,4-10H2,1-3H3
InChIKeyITQXVDYLTJPYJJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.32
Rot. Bonds4

About 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 91840554) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID91840554
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCN(CCn3cncn3)CC2)C1(C)C
InChIInChI=1S/C16H26N6O2/c1-16(2)13(10-14(23)19(16)3)15(24)21-7-4-20(5-8-21)6-9-22-12-17-11-18-22/h11-13H,4-10H2,1-3H3
InChIKeyITQXVDYLTJPYJJ-UHFFFAOYSA-N
XLogP-0.32
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 96581047
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118778339
cyclopropyl-[(2R)-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 124851829
2-hydroxy-4-methylsulfanyl-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 70788378
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 146039788
(2S)-2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 97140521
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 72838935
N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 121495008
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 91840554) is 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is CN1C(=O)CC(C(=O)N2CCN(CCn3cncn3)CC2)C1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ITQXVDYLTJPYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-16(2)13(10-14(23)19(16)3)15(24)21-7-4-20(5-8-21)6-9-22-12-17-11-18-22/h11-13H,4-10H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 334.42 g/mol, XLogP of -0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 91840554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).