1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H25N7O2 — CID 167980776

IUPAC1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(N2CC(C(=O)N3CCN(Cc4ncn[nH]4)CC3)CC2=O)C1
InChIInChI=1S/C16H25N7O2/c1-20-8-13(9-20)23-7-12(6-15(23)24)16(25)22-4-2-21(3-5-22)10-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,17,18,19)
InChIKeyXWTKECCCBJEMGE-UHFFFAOYSA-N
MW347.42 g/mol
LogP-1.39
Rot. Bonds4

About 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 167980776) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID167980776
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(N2CC(C(=O)N3CCN(Cc4ncn[nH]4)CC3)CC2=O)C1
InChIInChI=1S/C16H25N7O2/c1-20-8-13(9-20)23-7-12(6-15(23)24)16(25)22-4-2-21(3-5-22)10-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,17,18,19)
InChIKeyXWTKECCCBJEMGE-UHFFFAOYSA-N
XLogP-1.39
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125179887
[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 125156626
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125
1-(1-methylazetidin-3-yl)-4-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)pyrrolidin-2-one
CID 154783908
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 86902965
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
CID 124907982

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 167980776) is 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one is CN1CC(N2CC(C(=O)N3CCN(Cc4ncn[nH]4)CC3)CC2=O)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XWTKECCCBJEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-20-8-13(9-20)23-7-12(6-15(23)24)16(25)22-4-2-21(3-5-22)10-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of -1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 167980776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).