1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H26N2O3 — CID 2903845

IUPAC1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H26N2O3/c21-17-6-2-1-4-15(17)13-20-9-7-14(8-10-20)18(22)19-12-16-5-3-11-23-16/h1-2,4,6,14,16,21H,3,5,7-13H2,(H,19,22)
InChIKeyDYDACNBYXNARPQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.90
Rot. Bonds5

About 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2903845) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2903845
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H26N2O3/c21-17-6-2-1-4-15(17)13-20-9-7-14(8-10-20)18(22)19-12-16-5-3-11-23-16/h1-2,4,6,14,16,21H,3,5,7-13H2,(H,19,22)
InChIKeyDYDACNBYXNARPQ-UHFFFAOYSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2903845) is 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DYDACNBYXNARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17-6-2-1-4-15(17)13-20-9-7-14(8-10-20)18(22)19-12-16-5-3-11-23-16/h1-2,4,6,14,16,21H,3,5,7-13H2,(H,19,22).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2903845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).