(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119866896

IUPAC(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCN1CCC(CNC(=O)[C@@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16-8-5-11(6-9-16)10-15-13(17)12-4-2-3-7-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyZQMZDEDDEORXNT-LTCKWSDVSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds3

About (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride

(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119866896) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119866896
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCN1CCC(CNC(=O)[C@@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-16-8-5-11(6-9-16)10-15-13(17)12-4-2-3-7-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H/t12-;;/m0../s1
InChIKeyZQMZDEDDEORXNT-LTCKWSDVSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119336677
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 54898996
N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908667
(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 104913494
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride (CID 119866896) is (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride is CN1CCC(CNC(=O)[C@@H]2CCCCN2)CC1.Cl.Cl.
What is the InChIKey of (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is ZQMZDEDDEORXNT-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-16-8-5-11(6-9-16)10-15-13(17)12-4-2-3-7-14-12;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H/t12-;;/m0../s1.
What are the key properties of (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride?
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119866896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).