N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride

C13H29Cl2N3O2 — CID 119946941

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCOCCN(C)CCNC(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-13(5-4-6-14-11-13)12(17)15-7-8-16(2)9-10-18-3;;/h14H,4-11H2,1-3H3,(H,15,17);2*1H
InChIKeyLBQCJLHRRYHYSJ-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.91
Rot. Bonds7

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 119946941) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
PubChem CID119946941
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCOCCN(C)CCNC(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-13(5-4-6-14-11-13)12(17)15-7-8-16(2)9-10-18-3;;/h14H,4-11H2,1-3H3,(H,15,17);2*1H
InChIKeyLBQCJLHRRYHYSJ-UHFFFAOYSA-N
XLogP0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 83072304
N,N-bis(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63130592
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 63129598
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
N-ethyl-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63135216
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride (CID 119946941) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride is COCCN(C)CCNC(=O)C1(C)CCCNC1.Cl.Cl.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is LBQCJLHRRYHYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-13(5-4-6-14-11-13)12(17)15-7-8-16(2)9-10-18-3;;/h14H,4-11H2,1-3H3,(H,15,17);2*1H.
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).