[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C14H22N4O2 — CID 120939716

IUPAC[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H22N4O2/c1-10-12(15-6-8-20-10)14(19)18-7-2-3-11(9-18)13-16-4-5-17-13/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,16,17)/t10-,11?,12+/m1/s1
InChIKeyCYVCSSAQXYPODH-LWALXPGCSA-N
MW278.36 g/mol
LogP0.49
Rot. Bonds2

About [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120939716) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120939716
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H22N4O2/c1-10-12(15-6-8-20-10)14(19)18-7-2-3-11(9-18)13-16-4-5-17-13/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,16,17)/t10-,11?,12+/m1/s1
InChIKeyCYVCSSAQXYPODH-LWALXPGCSA-N
XLogP0.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120939716) is [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is CYVCSSAQXYPODH-LWALXPGCSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-12(15-6-8-20-10)14(19)18-7-2-3-11(9-18)13-16-4-5-17-13/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,16,17)/t10-,11?,12+/m1/s1.
What are the key properties of [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 278.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120939716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).