[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone

C16H25N3O2 — CID 70721047

IUPAC[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3cc[nH]c3)CC2)C[C@H](C)O1
InChIInChI=1S/C16H25N3O2/c1-12-10-19(11-13(2)21-12)15-4-7-18(8-5-15)16(20)14-3-6-17-9-14/h3,6,9,12-13,15,17H,4-5,7-8,10-11H2,1-2H3/t12-,13+
InChIKeyZIKKZCWJIBKEGL-BETUJISGSA-N
MW291.39 g/mol
LogP1.73
Rot. Bonds2

About [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 70721047) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID70721047
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3cc[nH]c3)CC2)C[C@H](C)O1
InChIInChI=1S/C16H25N3O2/c1-12-10-19(11-13(2)21-12)15-4-7-18(8-5-15)16(20)14-3-6-17-9-14/h3,6,9,12-13,15,17H,4-5,7-8,10-11H2,1-2H3/t12-,13+
InChIKeyZIKKZCWJIBKEGL-BETUJISGSA-N
XLogP1.73
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 70721047) is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone is C[C@@H]1CN(C2CCN(C(=O)c3cc[nH]c3)CC2)C[C@H](C)O1.
What is the InChIKey of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is ZIKKZCWJIBKEGL-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-19(11-13(2)21-12)15-4-7-18(8-5-15)16(20)14-3-6-17-9-14/h3,6,9,12-13,15,17H,4-5,7-8,10-11H2,1-2H3/t12-,13+.
What are the key properties of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 70721047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).