(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride

C19H33Cl2N3O2 — CID 119848309

IUPAC(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(CNC(=O)[C@H]2CCCCN2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-3-22(4-2)13-14-24-17-10-8-16(9-11-17)15-21-19(23)18-7-5-6-12-20-18;;/h8-11,18,20H,3-7,12-15H2,1-2H3,(H,21,23);2*1H/t18-;;/m1../s1
InChIKeyPQZGQUNAKLGPRG-JPKZNVRTSA-N
MW406.40 g/mol
LogP3.01
Rot. Bonds9

About (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119848309) has the molecular formula C19H33Cl2N3O2 and a molecular weight of 406.40 g/mol. Its IUPAC name is (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119848309
Molecular FormulaC19H33Cl2N3O2
Molecular Weight406.40 g/mol
Exact Mass405.19
IUPAC Name(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(CNC(=O)[C@H]2CCCCN2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-3-22(4-2)13-14-24-17-10-8-16(9-11-17)15-21-19(23)18-7-5-6-12-20-18;;/h8-11,18,20H,3-7,12-15H2,1-2H3,(H,21,23);2*1H/t18-;;/m1../s1
InChIKeyPQZGQUNAKLGPRG-JPKZNVRTSA-N
XLogP3.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (CID 119848309) is (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is CCN(CC)CCOc1ccc(CNC(=O)[C@H]2CCCCN2)cc1.Cl.Cl.
What is the InChIKey of (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is PQZGQUNAKLGPRG-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H31N3O2.2ClH/c1-3-22(4-2)13-14-24-17-10-8-16(9-11-17)15-21-19(23)18-7-5-6-12-20-18;;/h8-11,18,20H,3-7,12-15H2,1-2H3,(H,21,23);2*1H/t18-;;/m1../s1.
What are the key properties of (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119848309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).