2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C20H23N5O2 — CID 1469614

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-8-6-15(7-9-17)21-20(26)14-24-12-10-16(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-9,16H,10-14H2,1H3,(H,21,26)
InChIKeyYBEBZDXRMLEFRM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.72
Rot. Bonds5

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1469614) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1469614
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-8-6-15(7-9-17)21-20(26)14-24-12-10-16(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-9,16H,10-14H2,1H3,(H,21,26)
InChIKeyYBEBZDXRMLEFRM-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 645302
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 1469617
N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 3229037
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide
CID 3229067
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406517
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 1469614) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)cc1.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YBEBZDXRMLEFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-8-6-15(7-9-17)21-20(26)14-24-12-10-16(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-9,16H,10-14H2,1H3,(H,21,26).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1469614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).