2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

C20H23N5O2 — CID 121141698

IUPAC2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)C1
InChIInChI=1S/C20H23N5O2/c1-27-17-5-4-12-24(13-17)16-10-8-15(9-11-16)21-20(26)14-25-19-7-3-2-6-18(19)22-23-25/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,26)
InChIKeyXFTWMQNASHNNJZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.69
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 121141698) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID121141698
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)C1
InChIInChI=1S/C20H23N5O2/c1-27-17-5-4-12-24(13-17)16-10-8-15(9-11-16)21-20(26)14-25-19-7-3-2-6-18(19)22-23-25/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,26)
InChIKeyXFTWMQNASHNNJZ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 71809789
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (CID 121141698) is 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is COC1CCCN(c2ccc(NC(=O)Cn3nnc4ccccc43)cc2)C1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is XFTWMQNASHNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-5-4-12-24(13-17)16-10-8-15(9-11-16)21-20(26)14-25-19-7-3-2-6-18(19)22-23-25/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 121141698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).