4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide

C20H24N2O3 — CID 111424875

IUPAC4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N2O3/c1-15(23)16-10-12-22(13-11-16)20(24)21-17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14-16,23H,10-13H2,1H3,(H,21,24)
InChIKeyKWKSVSBQKKNMEN-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.10
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 111424875) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID111424875
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N2O3/c1-15(23)16-10-12-22(13-11-16)20(24)21-17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14-16,23H,10-13H2,1H3,(H,21,24)
InChIKeyKWKSVSBQKKNMEN-UHFFFAOYSA-N
XLogP4.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 97238064
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
4-cyclohexyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071773
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide (CID 111424875) is 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is KWKSVSBQKKNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)16-10-12-22(13-11-16)20(24)21-17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14-16,23H,10-13H2,1H3,(H,21,24).
What are the key properties of 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 111424875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).