N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C19H33Cl2N3O3 — CID 119841235

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(NC(=O)C2(OC)CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-4-22(5-2)14-15-25-17-8-6-16(7-9-17)21-18(23)19(24-3)10-12-20-13-11-19;;/h6-9,20H,4-5,10-15H2,1-3H3,(H,21,23);2*1H
InChIKeyXIDJMTCLCLASCQ-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.96
Rot. Bonds9

About N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119841235) has the molecular formula C19H33Cl2N3O3 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119841235
Molecular FormulaC19H33Cl2N3O3
Molecular Weight422.40 g/mol
Exact Mass421.19
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(NC(=O)C2(OC)CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-4-22(5-2)14-15-25-17-8-6-16(7-9-17)21-18(23)19(24-3)10-12-20-13-11-19;;/h6-9,20H,4-5,10-15H2,1-3H3,(H,21,23);2*1H
InChIKeyXIDJMTCLCLASCQ-UHFFFAOYSA-N
XLogP2.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
CID 119784210
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
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-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119763434
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
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-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119841235) is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is CCN(CC)CCOc1ccc(NC(=O)C2(OC)CCNCC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is XIDJMTCLCLASCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.2ClH/c1-4-22(5-2)14-15-25-17-8-6-16(7-9-17)21-18(23)19(24-3)10-12-20-13-11-19;;/h6-9,20H,4-5,10-15H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 422.40 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119841235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).