(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 119831742

IUPAC(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)[C@H]1CCCCN1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-20(15-8-6-7-14(2)13-15)12-11-19-17(21)16-9-4-5-10-18-16;;/h6-8,13,16,18H,3-5,9-12H2,1-2H3,(H,19,21);2*1H/t16-;;/m1../s1
InChIKeyHCYARDPOGNJKLM-GGMCWBHBSA-N
MW362.35 g/mol
LogP2.92
Rot. Bonds6

About (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119831742) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119831742
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)[C@H]1CCCCN1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-20(15-8-6-7-14(2)13-15)12-11-19-17(21)16-9-4-5-10-18-16;;/h6-8,13,16,18H,3-5,9-12H2,1-2H3,(H,19,21);2*1H/t16-;;/m1../s1
InChIKeyHCYARDPOGNJKLM-GGMCWBHBSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 78833214
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55739345

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119831742) is (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride is CCN(CCNC(=O)[C@H]1CCCCN1)c1cccc(C)c1.Cl.Cl.
What is the InChIKey of (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is HCYARDPOGNJKLM-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-3-20(15-8-6-7-14(2)13-15)12-11-19-17(21)16-9-4-5-10-18-16;;/h6-8,13,16,18H,3-5,9-12H2,1-2H3,(H,19,21);2*1H/t16-;;/m1../s1.
What are the key properties of (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119831742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).