1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C23H27N5O2 — CID 30806885

IUPAC1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCCn1nnc2cc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N5O2/c1-4-28-20-11-10-17(16-19(20)24-25-28)21(29)26-12-14-27(15-13-26)22(30)23(2,3)18-8-6-5-7-9-18/h5-11,16H,4,12-15H2,1-3H3
InChIKeyAUWXRCQTXHXLNP-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.71
Rot. Bonds4

About 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 30806885) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID30806885
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCCn1nnc2cc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N5O2/c1-4-28-20-11-10-17(16-19(20)24-25-28)21(29)26-12-14-27(15-13-26)22(30)23(2,3)18-8-6-5-7-9-18/h5-11,16H,4,12-15H2,1-3H3
InChIKeyAUWXRCQTXHXLNP-UHFFFAOYSA-N
XLogP2.71
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 30855256
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
(1-ethylbenzotriazol-5-yl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849984
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
(1-ethylbenzotriazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496380
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
(1-ethylbenzotriazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900282
1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453677

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 30806885) is 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CCn1nnc2cc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is AUWXRCQTXHXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-4-28-20-11-10-17(16-19(20)24-25-28)21(29)26-12-14-27(15-13-26)22(30)23(2,3)18-8-6-5-7-9-18/h5-11,16H,4,12-15H2,1-3H3.
What are the key properties of 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 405.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 30806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).