[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

C19H29N3O2 — CID 95973871

IUPAC[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@@H]1CN(CCC2CCN(C(=O)c3cccnc3)CC2)C[C@@H](C)O1
InChIInChI=1S/C19H29N3O2/c1-15-13-21(14-16(2)24-15)9-5-17-6-10-22(11-7-17)19(23)18-4-3-8-20-12-18/h3-4,8,12,15-17H,5-7,9-11,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyIOYNOIGUFLZQBG-HZPDHXFCSA-N
MW331.46 g/mol
LogP2.43
Rot. Bonds4

About [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95973871) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95973871
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@@H]1CN(CCC2CCN(C(=O)c3cccnc3)CC2)C[C@@H](C)O1
InChIInChI=1S/C19H29N3O2/c1-15-13-21(14-16(2)24-15)9-5-17-6-10-22(11-7-17)19(23)18-4-3-8-20-12-18/h3-4,8,12,15-17H,5-7,9-11,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyIOYNOIGUFLZQBG-HZPDHXFCSA-N
XLogP2.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
3-[[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029346
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95973871) is [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is C[C@@H]1CN(CCC2CCN(C(=O)c3cccnc3)CC2)C[C@@H](C)O1.
What is the InChIKey of [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IOYNOIGUFLZQBG-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-13-21(14-16(2)24-15)9-5-17-6-10-22(11-7-17)19(23)18-4-3-8-20-12-18/h3-4,8,12,15-17H,5-7,9-11,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 331.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95973871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).