(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride

C13H29Cl2N3O — CID 119896206

IUPAC(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCCN(CC)CCNC(=O)[C@@H]1CCCCN1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-3-10-16(4-2)11-9-15-13(17)12-7-5-6-8-14-12;;/h12,14H,3-11H2,1-2H3,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyZVTGYPHKXUPXAM-LTCKWSDVSA-N
MW314.30 g/mol
LogP1.82
Rot. Bonds7

About (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride

(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119896206) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119896206
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCCN(CC)CCNC(=O)[C@@H]1CCCCN1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-3-10-16(4-2)11-9-15-13(17)12-7-5-6-8-14-12;;/h12,14H,3-11H2,1-2H3,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyZVTGYPHKXUPXAM-LTCKWSDVSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 103814939
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119874329
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119896206) is (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride is CCCN(CC)CCNC(=O)[C@@H]1CCCCN1.Cl.Cl.
What is the InChIKey of (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is ZVTGYPHKXUPXAM-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-3-10-16(4-2)11-9-15-13(17)12-7-5-6-8-14-12;;/h12,14H,3-11H2,1-2H3,(H,15,17);2*1H/t12-;;/m0../s1.
What are the key properties of (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride?
(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119896206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).