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

C16H31N3O3 — CID 120941341

IUPAC(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C16H31N3O3/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/t12?,13-,15+/m1/s1
InChIKeyROXMJOSSPQLYMG-RLSDIYDTSA-N
MW313.44 g/mol
LogP-0.09
Rot. Bonds5

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

(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120941341) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120941341
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C16H31N3O3/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/t12?,13-,15+/m1/s1
InChIKeyROXMJOSSPQLYMG-RLSDIYDTSA-N
XLogP-0.09
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
CID 120941340
(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
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
(2R,3S)-N,2-dimethyl-N-(2-pyrazol-1-ylethyl)morpholine-3-carboxamide
CID 120941752

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide (CID 120941341) is (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide is CC(O)CN1CCC(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of (2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is ROXMJOSSPQLYMG-RLSDIYDTSA-N. The full InChI is InChI=1S/C16H31N3O3/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/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?
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of -0.09, 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 is sourced from PubChem (CID 120941341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).