4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

C20H31N3O2 — CID 44579473

IUPAC4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-21(16-17-22-12-6-3-7-13-22)19(24)23-14-10-20(25,11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,25H,3,6-7,10-17H2,1H3
InChIKeyHXRLLKSPWBGGTE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.51
Rot. Bonds4

About 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579473) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579473
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-21(16-17-22-12-6-3-7-13-22)19(24)23-14-10-20(25,11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,25H,3,6-7,10-17H2,1H3
InChIKeyHXRLLKSPWBGGTE-UHFFFAOYSA-N
XLogP2.51
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579473) is 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is HXRLLKSPWBGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21(16-17-22-12-6-3-7-13-22)19(24)23-14-10-20(25,11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,25H,3,6-7,10-17H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).