(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

C20H33Cl2N3O2 — CID 120642921

IUPAC(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)CC(C)O1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-14-10-17(8-9-21-14)20(24)22-19-7-5-4-6-18(19)13-23-11-15(2)25-16(3)12-23;;/h4-7,14-17,21H,8-13H2,1-3H3,(H,22,24);2*1H/t14-,15?,16?,17-;;/m0../s1
InChIKeyIVSAHJYQUGVCCQ-ZWVLNUBGSA-N
MW418.41 g/mol
LogP3.47
Rot. Bonds4

About (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120642921) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120642921
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)CC(C)O1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-14-10-17(8-9-21-14)20(24)22-19-7-5-4-6-18(19)13-23-11-15(2)25-16(3)12-23;;/h4-7,14-17,21H,8-13H2,1-3H3,(H,22,24);2*1H/t14-,15?,16?,17-;;/m0../s1
InChIKeyIVSAHJYQUGVCCQ-ZWVLNUBGSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633562
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (CID 120642921) is (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is CC1CN(Cc2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)CC(C)O1.Cl.Cl.
What is the InChIKey of (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is IVSAHJYQUGVCCQ-ZWVLNUBGSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-14-10-17(8-9-21-14)20(24)22-19-7-5-4-6-18(19)13-23-11-15(2)25-16(3)12-23;;/h4-7,14-17,21H,8-13H2,1-3H3,(H,22,24);2*1H/t14-,15?,16?,17-;;/m0../s1.
What are the key properties of (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120642921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).