2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide

C26H33N5O2 — CID 45172069

IUPAC2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C26H33N5O2/c1-33-14-13-30(26(32)19-31-27-24-10-4-5-11-25(24)28-31)18-20-7-6-12-29(17-20)23-15-21-8-2-3-9-22(21)16-23/h2-5,8-11,20,23H,6-7,12-19H2,1H3
InChIKeyLIRZYXDCLOCGRY-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.79
Rot. Bonds8

About 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide

2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 45172069) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
PubChem CID45172069
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C26H33N5O2/c1-33-14-13-30(26(32)19-31-27-24-10-4-5-11-25(24)28-31)18-20-7-6-12-29(17-20)23-15-21-8-2-3-9-22(21)16-23/h2-5,8-11,20,23H,6-7,12-19H2,1H3
InChIKeyLIRZYXDCLOCGRY-UHFFFAOYSA-N
XLogP2.79
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
CID 97275119
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-(2H-indazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 45203136
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-imidazole-5-carboxamide
CID 97271061
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide
CID 72902576
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 25310382
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 72930957
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpyrazole-3-carboxamide
CID 25458245
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 26332304
ethyl 2-[[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)carbamoyl]amino]acetate
CID 25488529
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 45246397
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 97127259

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide (CID 45172069) is 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is LIRZYXDCLOCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-33-14-13-30(26(32)19-31-27-24-10-4-5-11-25(24)28-31)18-20-7-6-12-29(17-20)23-15-21-8-2-3-9-22(21)16-23/h2-5,8-11,20,23H,6-7,12-19H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide?
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 447.58 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 45172069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).