1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one

C22H32N2O2 — CID 23271997

IUPAC1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one
SMILESCC1(C)C=C(N2CCOCC2)[C@@H](CCC(=O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C22H32N2O2/c1-21(2)16-19(24-12-14-26-15-13-24)18(22(3,4)23-21)10-11-20(25)17-8-6-5-7-9-17/h5-9,16,18,23H,10-15H2,1-4H3/t18-/m1/s1
InChIKeyRLWAKGOYKVRVLV-GOSISDBHSA-N
MW356.51 g/mol
LogP3.64
Rot. Bonds5

About 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one

1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one (PubChem CID 23271997) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one
PubChem CID23271997
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one
SMILESCC1(C)C=C(N2CCOCC2)[C@@H](CCC(=O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C22H32N2O2/c1-21(2)16-19(24-12-14-26-15-13-24)18(22(3,4)23-21)10-11-20(25)17-8-6-5-7-9-17/h5-9,16,18,23H,10-15H2,1-4H3/t18-/m1/s1
InChIKeyRLWAKGOYKVRVLV-GOSISDBHSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one?
The IUPAC name of 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one (CID 23271997) is 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one?
The canonical SMILES for 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one is CC1(C)C=C(N2CCOCC2)[C@@H](CCC(=O)c2ccccc2)C(C)(C)N1.
What is the InChIKey of 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one?
The InChIKey is RLWAKGOYKVRVLV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(2)16-19(24-12-14-26-15-13-24)18(22(3,4)23-21)10-11-20(25)17-8-6-5-7-9-17/h5-9,16,18,23H,10-15H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one?
1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(3S)-2,2,6,6-tetramethyl-4-morpholin-4-yl-1,3-dihydropyridin-3-yl]propan-1-one is sourced from PubChem (CID 23271997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).