3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C21H24N2O3 — CID 134703735

IUPAC3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C21H24N2O3/c1-13-10-14(2)22-20(24)19(13)21(25)23-11-17(15-6-4-3-5-7-15)26-18(12-23)16-8-9-16/h3-7,10,16-18H,8-9,11-12H2,1-2H3,(H,22,24)/t17-,18+/m0/s1
InChIKeyKOSMREFBMCOTBL-ZWKOTPCHSA-N
MW352.43 g/mol
LogP2.98
Rot. Bonds3

About 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 134703735) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID134703735
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C21H24N2O3/c1-13-10-14(2)22-20(24)19(13)21(25)23-11-17(15-6-4-3-5-7-15)26-18(12-23)16-8-9-16/h3-7,10,16-18H,8-9,11-12H2,1-2H3,(H,22,24)/t17-,18+/m0/s1
InChIKeyKOSMREFBMCOTBL-ZWKOTPCHSA-N
XLogP2.98
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 134703735) is 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is KOSMREFBMCOTBL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-10-14(2)22-20(24)19(13)21(25)23-11-17(15-6-4-3-5-7-15)26-18(12-23)16-8-9-16/h3-7,10,16-18H,8-9,11-12H2,1-2H3,(H,22,24)/t17-,18+/m0/s1.
What are the key properties of 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 134703735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).