N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride

C20H31ClN2O3 — CID 119303754

IUPACN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C2(CNC(=O)C3CCCNC3)CCOCC2)cc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-2-25-18-7-5-17(6-8-18)20(9-12-24-13-10-20)15-22-19(23)16-4-3-11-21-14-16;/h5-8,16,21H,2-4,9-15H2,1H3,(H,22,23);1H
InChIKeyXPCVXFIPFJUFMK-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.67
Rot. Bonds6

About N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119303754) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119303754
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C2(CNC(=O)C3CCCNC3)CCOCC2)cc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-2-25-18-7-5-17(6-8-18)20(9-12-24-13-10-20)15-22-19(23)16-4-3-11-21-14-16;/h5-8,16,21H,2-4,9-15H2,1H3,(H,22,23);1H
InChIKeyXPCVXFIPFJUFMK-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749561
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
(2R,6R)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 97333276
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119303754) is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride is CCOc1ccc(C2(CNC(=O)C3CCCNC3)CCOCC2)cc1.Cl.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XPCVXFIPFJUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-2-25-18-7-5-17(6-8-18)20(9-12-24-13-10-20)15-22-19(23)16-4-3-11-21-14-16;/h5-8,16,21H,2-4,9-15H2,1H3,(H,22,23);1H.
What are the key properties of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).