(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride

C16H33Cl2N3O3 — CID 120941340

IUPAC(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
SMILESCC(O)CN1CCC(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O3.2ClH/c1-12(20)10-19-7-4-14(5-8-19)11-18(3)16(21)15-13(2)22-9-6-17-15;;/h12-15,17,20H,4-11H2,1-3H3;2*1H/t12?,13-,15+;;/m1../s1
InChIKeyGYQYGPHEGJXRAL-NAHRZBGMSA-N
MW386.36 g/mol
LogP0.76
Rot. Bonds5

About (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120941340) has the molecular formula C16H33Cl2N3O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120941340
Molecular FormulaC16H33Cl2N3O3
Molecular Weight386.36 g/mol
Exact Mass385.19
IUPAC Name(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
SMILESCC(O)CN1CCC(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O3.2ClH/c1-12(20)10-19-7-4-14(5-8-19)11-18(3)16(21)15-13(2)22-9-6-17-15;;/h12-15,17,20H,4-11H2,1-3H3;2*1H/t12?,13-,15+;;/m1../s1
InChIKeyGYQYGPHEGJXRAL-NAHRZBGMSA-N
XLogP0.76
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941341
(2R,3S)-N-(cyclobutylmethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930697
(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120646459
(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941664
(2R,3S)-N-(2-cyclohexylethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930037
3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
CID 120503814
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride (CID 120941340) is (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride is CC(O)CN1CCC(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is GYQYGPHEGJXRAL-NAHRZBGMSA-N. The full InChI is InChI=1S/C16H31N3O3.2ClH/c1-12(20)10-19-7-4-14(5-8-19)11-18(3)16(21)15-13(2)22-9-6-17-15;;/h12-15,17,20H,4-11H2,1-3H3;2*1H/t12?,13-,15+;;/m1../s1.
What are the key properties of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 386.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120941340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).