1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one

C20H26N6O2 — CID 75475147

IUPAC1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one
SMILESO=C(Cn1ccnn1)N1CCN(C2CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C20H26N6O2/c27-19(16-26-10-8-21-22-26)24-13-11-23(12-14-24)18-7-4-9-25(20(18)28)15-17-5-2-1-3-6-17/h1-3,5-6,8,10,18H,4,7,9,11-16H2
InChIKeyAPBWONNIRRACIN-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.61
Rot. Bonds5

About 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one

1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one (PubChem CID 75475147) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one
PubChem CID75475147
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one
SMILESO=C(Cn1ccnn1)N1CCN(C2CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C20H26N6O2/c27-19(16-26-10-8-21-22-26)24-13-11-23(12-14-24)18-7-4-9-25(20(18)28)15-17-5-2-1-3-6-17/h1-3,5-6,8,10,18H,4,7,9,11-16H2
InChIKeyAPBWONNIRRACIN-UHFFFAOYSA-N
XLogP0.61
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]piperidin-2-one
CID 119033850
(3S)-1-benzyl-3-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 95990981
(3S)-1-benzyl-3-[4-[4-(cyclopropylmethoxy)benzoyl]piperazin-1-yl]piperidin-2-one
CID 100680036
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone
CID 74243719
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110921480
3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 91925976
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 164638859
1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(triazol-1-yl)ethanone
CID 127417304
(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
CID 92631303
(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one
CID 99782277
(3R)-1-benzyl-3-[4-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one
CID 99782276

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one?
The IUPAC name of 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one (CID 75475147) is 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one?
The canonical SMILES for 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one is O=C(Cn1ccnn1)N1CCN(C2CCCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one?
The InChIKey is APBWONNIRRACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-19(16-26-10-8-21-22-26)24-13-11-23(12-14-24)18-7-4-9-25(20(18)28)15-17-5-2-1-3-6-17/h1-3,5-6,8,10,18H,4,7,9,11-16H2.
What are the key properties of 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one?
1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one has a molecular weight of 382.47 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 75475147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).