N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C21H27ClN2O4 — CID 119680034

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(Oc2ccc(NC(=O)C3(OC)CCNCC3)cc2)cc1.Cl
InChIInChI=1S/C21H26N2O4.ClH/c1-3-26-17-8-10-19(11-9-17)27-18-6-4-16(5-7-18)23-20(24)21(25-2)12-14-22-15-13-21;/h4-11,22H,3,12-15H2,1-2H3,(H,23,24);1H
InChIKeyMGNUPHUNCFKIFU-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.01
Rot. Bonds7

About N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119680034) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119680034
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(Oc2ccc(NC(=O)C3(OC)CCNCC3)cc2)cc1.Cl
InChIInChI=1S/C21H26N2O4.ClH/c1-3-26-17-8-10-19(11-9-17)27-18-6-4-16(5-7-18)23-20(24)21(25-2)12-14-22-15-13-21;/h4-11,22H,3,12-15H2,1-2H3,(H,23,24);1H
InChIKeyMGNUPHUNCFKIFU-UHFFFAOYSA-N
XLogP4.01
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119841235
methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
CID 119784210
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119763434
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119680034) is N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is CCOc1ccc(Oc2ccc(NC(=O)C3(OC)CCNCC3)cc2)cc1.Cl.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is MGNUPHUNCFKIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4.ClH/c1-3-26-17-8-10-19(11-9-17)27-18-6-4-16(5-7-18)23-20(24)21(25-2)12-14-22-15-13-21;/h4-11,22H,3,12-15H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 406.91 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119680034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).