2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide

C21H24N6O2 — CID 136519765

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide
SMILESCn1nnnc1-c1cccc(NC(=O)C(c2ccccc2)N2CCC(O)CC2)c1
InChIInChI=1S/C21H24N6O2/c1-26-20(23-24-25-26)16-8-5-9-17(14-16)22-21(29)19(15-6-3-2-4-7-15)27-12-10-18(28)11-13-27/h2-9,14,18-19,28H,10-13H2,1H3,(H,22,29)
InChIKeyPYTOAKOZYCRWFG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide

2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide (PubChem CID 136519765) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide
PubChem CID136519765
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide
SMILESCn1nnnc1-c1cccc(NC(=O)C(c2ccccc2)N2CCC(O)CC2)c1
InChIInChI=1S/C21H24N6O2/c1-26-20(23-24-25-26)16-8-5-9-17(14-16)22-21(29)19(15-6-3-2-4-7-15)27-12-10-18(28)11-13-27/h2-9,14,18-19,28H,10-13H2,1H3,(H,22,29)
InChIKeyPYTOAKOZYCRWFG-UHFFFAOYSA-N
XLogP2.01
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 71920837
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
2-(4-hydroxypiperidin-1-yl)-N-(6-methyl-3-pyridinyl)-2-phenylacetamide
CID 75503728
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26122706
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide (CID 136519765) is 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide is Cn1nnnc1-c1cccc(NC(=O)C(c2ccccc2)N2CCC(O)CC2)c1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide?
The InChIKey is PYTOAKOZYCRWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26-20(23-24-25-26)16-8-5-9-17(14-16)22-21(29)19(15-6-3-2-4-7-15)27-12-10-18(28)11-13-27/h2-9,14,18-19,28H,10-13H2,1H3,(H,22,29).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide?
2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide has a molecular weight of 392.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 136519765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).