N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide

C21H26N2O3 — CID 74241723

IUPACN-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(O)c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C21H26N2O3/c1-23-12-10-16(11-13-23)21(25)22-15-20(24)17-6-5-9-19(14-17)26-18-7-3-2-4-8-18/h2-9,14,16,20,24H,10-13,15H2,1H3,(H,22,25)
InChIKeyRRGZYCZMDQFGPA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds6

About N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide

N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 74241723) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID74241723
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(O)c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C21H26N2O3/c1-23-12-10-16(11-13-23)21(25)22-15-20(24)17-6-5-9-19(14-17)26-18-7-3-2-4-8-18/h2-9,14,16,20,24H,10-13,15H2,1H3,(H,22,25)
InChIKeyRRGZYCZMDQFGPA-UHFFFAOYSA-N
XLogP2.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 111750687
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
CID 111539033
1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
CID 119061128
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376283
1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97206238

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide (CID 74241723) is N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NCC(O)c2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RRGZYCZMDQFGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-23-12-10-16(11-13-23)21(25)22-15-20(24)17-6-5-9-19(14-17)26-18-7-3-2-4-8-18/h2-9,14,16,20,24H,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 74241723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).