(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C24H25N5O — CID 9397847

IUPAC(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1nnc2cc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)ccc21
InChIInChI=1S/C24H25N5O/c1-2-29-23-11-10-19(16-22(23)25-26-29)24(30)28-14-12-27(13-15-28)17-20-8-5-7-18-6-3-4-9-21(18)20/h3-11,16H,2,12-15,17H2,1H3
InChIKeyRGQSIHPEKLVEEB-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.56
Rot. Bonds4

About (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9397847) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID9397847
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1nnc2cc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)ccc21
InChIInChI=1S/C24H25N5O/c1-2-29-23-11-10-19(16-22(23)25-26-29)24(30)28-14-12-27(13-15-28)17-20-8-5-7-18-6-3-4-9-21(18)20/h3-11,16H,2,12-15,17H2,1H3
InChIKeyRGQSIHPEKLVEEB-UHFFFAOYSA-N
XLogP3.56
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 30855256
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806885
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
(1-ethylbenzotriazol-5-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30125621
(1-ethylbenzotriazol-5-yl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849984
(1-ethylbenzotriazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115919
1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 18119095
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
2-methyl-5-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 37210584
[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9398005

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 9397847) is (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is CCn1nnc2cc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)ccc21.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RGQSIHPEKLVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-29-23-11-10-19(16-22(23)25-26-29)24(30)28-14-12-27(13-15-28)17-20-8-5-7-18-6-3-4-9-21(18)20/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9397847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).