N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

C21H24N2O3 — CID 3153439

IUPACN-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c24-15-12-22-20(25)18-10-13-23(14-11-18)21(26)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,24H,10-15H2,(H,22,25)
InChIKeyOUPPRRPUMJASCE-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.31
Rot. Bonds5

About N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (PubChem CID 3153439) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
PubChem CID3153439
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c24-15-12-22-20(25)18-10-13-23(14-11-18)21(26)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,24H,10-15H2,(H,22,25)
InChIKeyOUPPRRPUMJASCE-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (CID 3153439) is N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is O=C(NCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The InChIKey is OUPPRRPUMJASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-15-12-22-20(25)18-10-13-23(14-11-18)21(26)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,24H,10-15H2,(H,22,25).
What are the key properties of N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 3153439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).