[3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C24H28N6O2 — CID 71453315

IUPAC[3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H28N6O2/c31-23(28-11-4-1-5-12-28)20-8-6-7-19(17-20)18-27-13-15-29(16-14-27)24(32)30-22-10-3-2-9-21(22)25-26-30/h2-3,6-10,17H,1,4-5,11-16,18H2
InChIKeyXCIPQKNYTRLMII-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.84
Rot. Bonds3

About [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 71453315) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID71453315
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name[3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H28N6O2/c31-23(28-11-4-1-5-12-28)20-8-6-7-19(17-20)18-27-13-15-29(16-14-27)24(32)30-22-10-3-2-9-21(22)25-26-30/h2-3,6-10,17H,1,4-5,11-16,18H2
InChIKeyXCIPQKNYTRLMII-UHFFFAOYSA-N
XLogP2.84
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[3-[4-[1-(2-Phenylpiperidine-1-carbonyl)triazol-4-yl]phenyl]phenyl]-piperidin-1-ylmethanone
CID 53364498
(4-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
Benzotriazol-1-yl-(4-benzylpiperidin-1-yl)methanone
CID 17989764
(1H-benzo(d)(1,2,3)triazol-1-yl)(4-benzylpiperazin-1-yl)methanone
CID 66683014
1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
CID 834536
[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-m-tolyl-methanone
CID 645649
[4-(Benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 1469544
2-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 44266203
[5-[4-(Benzotriazole-1-carbonyl)piperazin-1-yl]-2-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 71449674
3-[[4-(Benzotriazole-1-carbonyl)piperazin-1-yl]methyl]benzoic acid
CID 71453314
Benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455022

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 71453315) is [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1)N1CCCCC1.
What is the InChIKey of [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is XCIPQKNYTRLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-23(28-11-4-1-5-12-28)20-8-6-7-19(17-20)18-27-13-15-29(16-14-27)24(32)30-22-10-3-2-9-21(22)25-26-30/h2-3,6-10,17H,1,4-5,11-16,18H2.
What are the key properties of [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 432.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71453315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).