1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide

C18H26N4O3 — CID 37320191

IUPAC1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C[C@@H](C)O1
InChIInChI=1S/C18H26N4O3/c1-12-10-22(11-13(2)25-12)16-4-3-15(9-20-16)18(24)21-7-5-14(6-8-21)17(19)23/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H2,19,23)/t12-,13-/m1/s1
InChIKeyDYPAXEWEIWVWOP-CHWSQXEVSA-N
MW346.43 g/mol
LogP1.03
Rot. Bonds3

About 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide

1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 37320191) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
PubChem CID37320191
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C[C@@H](C)O1
InChIInChI=1S/C18H26N4O3/c1-12-10-22(11-13(2)25-12)16-4-3-15(9-20-16)18(24)21-7-5-14(6-8-21)17(19)23/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H2,19,23)/t12-,13-/m1/s1
InChIKeyDYPAXEWEIWVWOP-CHWSQXEVSA-N
XLogP1.03
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide (CID 37320191) is 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide is C[C@@H]1CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C[C@@H](C)O1.
What is the InChIKey of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is DYPAXEWEIWVWOP-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-10-22(11-13(2)25-12)16-4-3-15(9-20-16)18(24)21-7-5-14(6-8-21)17(19)23/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H2,19,23)/t12-,13-/m1/s1.
What are the key properties of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide?
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 37320191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).