[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone

C17H26N2O2 — CID 155508835

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccncc2)C[C@H](C(C)C)O1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-15-11-19(12-16(21-15)13(2)3)17(20)14-7-9-18-10-8-14/h7-10,13,15-16H,4-6,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyKRLOPPGTMFXHLB-HZPDHXFCSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds5

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone (PubChem CID 155508835) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
PubChem CID155508835
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccncc2)C[C@H](C(C)C)O1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-15-11-19(12-16(21-15)13(2)3)17(20)14-7-9-18-10-8-14/h7-10,13,15-16H,4-6,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyKRLOPPGTMFXHLB-HZPDHXFCSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
CID 157013660
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 155912977
2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
CID 155508248
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 137340516
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
CID 155498952
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 134707354
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 155912826
1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 155500622
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 155510237
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155504162
[4-[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]piperidin-1-yl]-phenylmethanone;formic acid
CID 155971738
3-(2-amino-1,3-thiazol-4-yl)-1-[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]propan-1-one
CID 155910743

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone (CID 155508835) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone is CCCC[C@@H]1CN(C(=O)c2ccncc2)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is KRLOPPGTMFXHLB-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-6-15-11-19(12-16(21-15)13(2)3)17(20)14-7-9-18-10-8-14/h7-10,13,15-16H,4-6,11-12H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 155508835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).