2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide

C22H27N5O — CID 645287

IUPAC2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-17-7-8-21-20(15-17)24-25-27(21)19-10-13-26(14-11-19)16-22(28)23-12-9-18-5-3-2-4-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,23,28)
InChIKeyNOQSHLFWRBYFJZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 645287) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID645287
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-17-7-8-21-20(15-17)24-25-27(21)19-10-13-26(14-11-19)16-22(28)23-12-9-18-5-3-2-4-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,23,28)
InChIKeyNOQSHLFWRBYFJZ-UHFFFAOYSA-N
XLogP2.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
CID 1469769
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7436500
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 43814474
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 1469617
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 3229037
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide (CID 645287) is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is NOQSHLFWRBYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-7-8-21-20(15-17)24-25-27(21)19-10-13-26(14-11-19)16-22(28)23-12-9-18-5-3-2-4-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,23,28).
What are the key properties of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 645287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).