1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one

C20H26N6O2 — CID 75473662

IUPAC1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one
SMILESO=C(CCn1cncn1)N1CCN(C2CCCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H26N6O2/c27-19(8-10-25-16-21-15-22-25)24-13-11-23(12-14-24)18-7-4-9-26(20(18)28)17-5-2-1-3-6-17/h1-3,5-6,15-16,18H,4,7-14H2
InChIKeyLWMWERWCXINJJS-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.01
Rot. Bonds5

About 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one

1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one (PubChem CID 75473662) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one
PubChem CID75473662
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one
SMILESO=C(CCn1cncn1)N1CCN(C2CCCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H26N6O2/c27-19(8-10-25-16-21-15-22-25)24-13-11-23(12-14-24)18-7-4-9-26(20(18)28)17-5-2-1-3-6-17/h1-3,5-6,15-16,18H,4,7-14H2
InChIKeyLWMWERWCXINJJS-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one with MolForge

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Related Compounds

3-[3-oxo-3-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 97342927
(3R)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97342909
3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323757
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
(3S)-1-phenyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 97285430
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one
CID 75473668
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110887265
3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120562652
1-[(3R)-3-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 26394446
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119951477

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one?
The IUPAC name of 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one (CID 75473662) is 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one?
The canonical SMILES for 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one is O=C(CCn1cncn1)N1CCN(C2CCCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one?
The InChIKey is LWMWERWCXINJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-19(8-10-25-16-21-15-22-25)24-13-11-23(12-14-24)18-7-4-9-26(20(18)28)17-5-2-1-3-6-17/h1-3,5-6,15-16,18H,4,7-14H2.
What are the key properties of 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one?
1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one has a molecular weight of 382.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 75473662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).