(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C13H27ClN2O3 — CID 120616330

IUPAC(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCCN(CCOC)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-11-10-12(4-5-14-11)13(16)15(6-8-17-2)7-9-18-3;/h11-12,14H,4-10H2,1-3H3;1H/t11-,12-;/m0./s1
InChIKeyAWCPUORDLACOMK-FXMYHANSSA-N
MW294.82 g/mol
LogP0.92
Rot. Bonds7

About (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120616330) has the molecular formula C13H27ClN2O3 and a molecular weight of 294.82 g/mol. Its IUPAC name is (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120616330
Molecular FormulaC13H27ClN2O3
Molecular Weight294.82 g/mol
Exact Mass294.17
IUPAC Name(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCCN(CCOC)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-11-10-12(4-5-14-11)13(16)15(6-8-17-2)7-9-18-3;/h11-12,14H,4-10H2,1-3H3;1H/t11-,12-;/m0./s1
InChIKeyAWCPUORDLACOMK-FXMYHANSSA-N
XLogP0.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397
(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
3-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550455
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807
(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
CID 120636375
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639366
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739382
N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120616330) is (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride is COCCN(CCOC)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is AWCPUORDLACOMK-FXMYHANSSA-N. The full InChI is InChI=1S/C13H26N2O3.ClH/c1-11-10-12(4-5-14-11)13(16)15(6-8-17-2)7-9-18-3;/h11-12,14H,4-10H2,1-3H3;1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 294.82 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).