[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C20H20FN5O2 — CID 30855256

IUPAC[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCn1nnc2cc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)ccc21
InChIInChI=1S/C20H20FN5O2/c1-2-26-18-7-6-15(13-17(18)22-23-26)20(28)25-10-8-24(9-11-25)19(27)14-4-3-5-16(21)12-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyDPRBYXUYCCSRNU-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.19
Rot. Bonds3

About [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 30855256) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID30855256
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCn1nnc2cc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)ccc21
InChIInChI=1S/C20H20FN5O2/c1-2-26-18-7-6-15(13-17(18)22-23-26)20(28)25-10-8-24(9-11-25)19(27)14-4-3-5-16(21)12-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyDPRBYXUYCCSRNU-UHFFFAOYSA-N
XLogP2.19
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
(1-ethylbenzotriazol-5-yl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849984
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806885
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
(1-ethylbenzotriazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496380
methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
(1-ethylbenzotriazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115919
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
(1-ethylbenzotriazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900282
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
(1-ethylbenzotriazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 38005043

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 30855256) is [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is CCn1nnc2cc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)ccc21.
What is the InChIKey of [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is DPRBYXUYCCSRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-2-26-18-7-6-15(13-17(18)22-23-26)20(28)25-10-8-24(9-11-25)19(27)14-4-3-5-16(21)12-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 381.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 30855256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).