(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one

C18H25N5O — CID 97207490

IUPAC(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCNC(=O)[C@H]1Cc1ncnn1CCc1ccccc1
InChIInChI=1S/C18H25N5O/c1-14(2)22-11-9-19-18(24)16(22)12-17-20-13-21-23(17)10-8-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,24)/t16-/m1/s1
InChIKeyACFSTLPSTHCQNP-MRXNPFEDSA-N
MW327.43 g/mol
LogP1.27
Rot. Bonds6

About (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one

(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one (PubChem CID 97207490) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one
PubChem CID97207490
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCNC(=O)[C@H]1Cc1ncnn1CCc1ccccc1
InChIInChI=1S/C18H25N5O/c1-14(2)22-11-9-19-18(24)16(22)12-17-20-13-21-23(17)10-8-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,24)/t16-/m1/s1
InChIKeyACFSTLPSTHCQNP-MRXNPFEDSA-N
XLogP1.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazin-2-one
CID 97445877
1-methyl-4-[4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]butan-2-yl]piperazine
CID 131944510
1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole
CID 134080264
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
(3S)-3-benzyl-4-(3-methylsulfanylpropyl)piperazin-2-one
CID 77091485
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
CID 95209407
3-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
CID 104679282
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one?
The IUPAC name of (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one (CID 97207490) is (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one is CC(C)N1CCNC(=O)[C@H]1Cc1ncnn1CCc1ccccc1.
What is the InChIKey of (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one?
The InChIKey is ACFSTLPSTHCQNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)22-11-9-19-18(24)16(22)12-17-20-13-21-23(17)10-8-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,24)/t16-/m1/s1.
What are the key properties of (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one?
(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one has a molecular weight of 327.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 97207490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).