(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride

C14H29Cl2N3O2 — CID 120798205

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCC1CCCCN1CCNC(=O)[C@@H]1CC[C@H](CN)O1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-11-4-2-3-8-17(11)9-7-16-14(18)13-6-5-12(10-15)19-13;;/h11-13H,2-10,15H2,1H3,(H,16,18);2*1H/t11?,12-,13+;;/m1../s1
InChIKeyMVWZXVHOJXJRMR-XDIOMPKUSA-N
MW342.31 g/mol
LogP1.33
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120798205) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120798205
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCC1CCCCN1CCNC(=O)[C@@H]1CC[C@H](CN)O1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-11-4-2-3-8-17(11)9-7-16-14(18)13-6-5-12(10-15)19-13;;/h11-13H,2-10,15H2,1H3,(H,16,18);2*1H/t11?,12-,13+;;/m1../s1
InChIKeyMVWZXVHOJXJRMR-XDIOMPKUSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 124815610
(2S,5R)-5-(aminomethyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801194
(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120800655
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120796881
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62438305
N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S)-1-(cyclopentanecarbonyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 95280772
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
CID 130686018
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride (CID 120798205) is (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride is CC1CCCCN1CCNC(=O)[C@@H]1CC[C@H](CN)O1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is MVWZXVHOJXJRMR-XDIOMPKUSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-11-4-2-3-8-17(11)9-7-16-14(18)13-6-5-12(10-15)19-13;;/h11-13H,2-10,15H2,1H3,(H,16,18);2*1H/t11?,12-,13+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120798205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).