(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119859201

IUPAC(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)[C@@H]1CCCCN1)C1CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16(2)12(10-6-7-10)9-15-13(17)11-5-3-4-8-14-11;;/h10-12,14H,3-9H2,1-2H3,(H,15,17);2*1H/t11-,12?;;/m0../s1
InChIKeyHOXUVUDSSXZEOJ-VWTXCZJDSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds5

About (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride

(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119859201) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119859201
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)[C@@H]1CCCCN1)C1CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16(2)12(10-6-7-10)9-15-13(17)11-5-3-4-8-14-11;;/h10-12,14H,3-9H2,1-2H3,(H,15,17);2*1H/t11-,12?;;/m0../s1
InChIKeyHOXUVUDSSXZEOJ-VWTXCZJDSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850522
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
(2R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-2-carboxamide
CID 113267374
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
CID 119261605
(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124686388
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-[2-(2-hydroxyethyl)-4-methylpentyl]piperidine-2-carboxamide
CID 119343080
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119859201) is (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride is CN(C)C(CNC(=O)[C@@H]1CCCCN1)C1CC1.Cl.Cl.
What is the InChIKey of (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is HOXUVUDSSXZEOJ-VWTXCZJDSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-16(2)12(10-6-7-10)9-15-13(17)11-5-3-4-8-14-11;;/h10-12,14H,3-9H2,1-2H3,(H,15,17);2*1H/t11-,12?;;/m0../s1.
What are the key properties of (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride?
(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119859201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).