N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide

C17H21N3O3 — CID 126839215

IUPACN-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ncc(CN2CCC(C(=O)Nc3ccccc3O)CC2)o1
InChIInChI=1S/C17H21N3O3/c1-12-18-10-14(23-12)11-20-8-6-13(7-9-20)17(22)19-15-4-2-3-5-16(15)21/h2-5,10,13,21H,6-9,11H2,1H3,(H,19,22)
InChIKeyITCDYVPYWFWEKE-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.54
Rot. Bonds4

About N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 126839215) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID126839215
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ncc(CN2CCC(C(=O)Nc3ccccc3O)CC2)o1
InChIInChI=1S/C17H21N3O3/c1-12-18-10-14(23-12)11-20-8-6-13(7-9-20)17(22)19-15-4-2-3-5-16(15)21/h2-5,10,13,21H,6-9,11H2,1H3,(H,19,22)
InChIKeyITCDYVPYWFWEKE-UHFFFAOYSA-N
XLogP2.54
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112798635
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
CID 126839220
1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112822850
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 86825551
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25470934
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133408084
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177459
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 126839215) is N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide is Cc1ncc(CN2CCC(C(=O)Nc3ccccc3O)CC2)o1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ITCDYVPYWFWEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-18-10-14(23-12)11-20-8-6-13(7-9-20)17(22)19-15-4-2-3-5-16(15)21/h2-5,10,13,21H,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126839215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).