4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide

C26H34N6O — CID 162370304

IUPAC4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C26H34N6O/c33-26(27-15-10-21-11-16-30(17-12-21)20-22-6-2-1-3-7-22)31-18-13-23(14-19-31)32-25-9-5-4-8-24(25)28-29-32/h1-9,21,23H,10-20H2,(H,27,33)
InChIKeyBFEQZOQSQVLMRW-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.08
Rot. Bonds6

About 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide

4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 162370304) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID162370304
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C26H34N6O/c33-26(27-15-10-21-11-16-30(17-12-21)20-22-6-2-1-3-7-22)31-18-13-23(14-19-31)32-25-9-5-4-8-24(25)28-29-32/h1-9,21,23H,10-20H2,(H,27,33)
InChIKeyBFEQZOQSQVLMRW-UHFFFAOYSA-N
XLogP4.08
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
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
Benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
4-Benzotriazol-1-yl-piperidine-1-carboxylic acid adamantan-1-ylamide
CID 650812
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
3-(benzotriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 863078
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-o-tolyl-acetamide
CID 1469608
4-(5-methylbenzotriazol-1-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 1469707
Benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455022
Benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455026

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide (CID 162370304) is 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is BFEQZOQSQVLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c33-26(27-15-10-21-11-16-30(17-12-21)20-22-6-2-1-3-7-22)31-18-13-23(14-19-31)32-25-9-5-4-8-24(25)28-29-32/h1-9,21,23H,10-20H2,(H,27,33).
What are the key properties of 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide?
4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 162370304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).