2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide

C15H21N5O2 — CID 154746567

IUPAC2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCn1nnc2cc(CN3CCCC(O)(CC(N)=O)C3)ccc21
InChIInChI=1S/C15H21N5O2/c1-19-13-4-3-11(7-12(13)17-18-19)9-20-6-2-5-15(22,10-20)8-14(16)21/h3-4,7,22H,2,5-6,8-10H2,1H3,(H2,16,21)
InChIKeyCHBNCASWRJDXQS-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.17
Rot. Bonds4

About 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide

2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 154746567) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide
PubChem CID154746567
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCn1nnc2cc(CN3CCCC(O)(CC(N)=O)C3)ccc21
InChIInChI=1S/C15H21N5O2/c1-19-13-4-3-11(7-12(13)17-18-19)9-20-6-2-5-15(22,10-20)8-14(16)21/h3-4,7,22H,2,5-6,8-10H2,1H3,(H2,16,21)
InChIKeyCHBNCASWRJDXQS-UHFFFAOYSA-N
XLogP0.17
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 167870571
4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909731
5-ethyl-1-methylbenzotriazole
CID 20678691
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylbenzotriazole;2,2,2-trifluoroacetic acid
CID 171686954
1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one
CID 166308659
(3S,4R)-1-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770389
1-methyl-5-(2-methylpropyl)benzotriazole
CID 59731307
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
CID 126815363
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
(2R,3R,4S)-2-(hydroxymethyl)-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 44568628
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 154743994

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide (CID 154746567) is 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide is Cn1nnc2cc(CN3CCCC(O)(CC(N)=O)C3)ccc21.
What is the InChIKey of 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is CHBNCASWRJDXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-13-4-3-11(7-12(13)17-18-19)9-20-6-2-5-15(22,10-20)8-14(16)21/h3-4,7,22H,2,5-6,8-10H2,1H3,(H2,16,21).
What are the key properties of 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide?
2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 154746567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).