N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride

C19H33Cl2N3O3 — CID 119865014

IUPACN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1cc(NC(=O)C2CCNCC2)ccc1OC.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-4-22(5-2)12-13-25-18-14-16(6-7-17(18)24-3)21-19(23)15-8-10-20-11-9-15;;/h6-7,14-15,20H,4-5,8-13H2,1-3H3,(H,21,23);2*1H
InChIKeyFXPNGKVKKBZLOZ-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.20
Rot. Bonds9

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119865014) has the molecular formula C19H33Cl2N3O3 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119865014
Molecular FormulaC19H33Cl2N3O3
Molecular Weight422.40 g/mol
Exact Mass421.19
IUPAC NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1cc(NC(=O)C2CCNCC2)ccc1OC.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-4-22(5-2)12-13-25-18-14-16(6-7-17(18)24-3)21-19(23)15-8-10-20-11-9-15;;/h6-7,14-15,20H,4-5,8-13H2,1-3H3,(H,21,23);2*1H
InChIKeyFXPNGKVKKBZLOZ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
CID 120645414
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
CID 119865052
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride (CID 119865014) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride is CCN(CC)CCOc1cc(NC(=O)C2CCNCC2)ccc1OC.Cl.Cl.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is FXPNGKVKKBZLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.2ClH/c1-4-22(5-2)12-13-25-18-14-16(6-7-17(18)24-3)21-19(23)15-8-10-20-11-9-15;;/h6-7,14-15,20H,4-5,8-13H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride?
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 422.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119865014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).