N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C17H26ClN3O4 — CID 119713374

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)COc1ccc(NC(=O)C2(OC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-3-19-15(21)12-24-14-6-4-13(5-7-14)20-16(22)17(23-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyJHSQNBKPKKGVDJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP1.33
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119713374) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119713374
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)COc1ccc(NC(=O)C2(OC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H25N3O4.ClH/c1-3-19-15(21)12-24-14-6-4-13(5-7-14)20-16(22)17(23-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyJHSQNBKPKKGVDJ-UHFFFAOYSA-N
XLogP1.33
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
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
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119713374) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is CCNC(=O)COc1ccc(NC(=O)C2(OC)CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is JHSQNBKPKKGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c1-3-19-15(21)12-24-14-6-4-13(5-7-14)20-16(22)17(23-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119713374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).