[(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C18H28N2O3 — CID 146329888

IUPAC[(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCOC1=C[C@@H](C(=O)N2CCC(N3CCOCC3)CC2)CC=C1C
InChIInChI=1S/C18H28N2O3/c1-14-3-4-15(13-17(14)22-2)18(21)20-7-5-16(6-8-20)19-9-11-23-12-10-19/h3,13,15-16H,4-12H2,1-2H3/t15-/m0/s1
InChIKeyZMCBPRPXXCHFBF-HNNXBMFYSA-N
MW320.43 g/mol
LogP1.81
Rot. Bonds3

About [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 146329888) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID146329888
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCOC1=C[C@@H](C(=O)N2CCC(N3CCOCC3)CC2)CC=C1C
InChIInChI=1S/C18H28N2O3/c1-14-3-4-15(13-17(14)22-2)18(21)20-7-5-16(6-8-20)19-9-11-23-12-10-19/h3,13,15-16H,4-12H2,1-2H3/t15-/m0/s1
InChIKeyZMCBPRPXXCHFBF-HNNXBMFYSA-N
XLogP1.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 146329888) is [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is COC1=C[C@@H](C(=O)N2CCC(N3CCOCC3)CC2)CC=C1C.
What is the InChIKey of [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZMCBPRPXXCHFBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-3-4-15(13-17(14)22-2)18(21)20-7-5-16(6-8-20)19-9-11-23-12-10-19/h3,13,15-16H,4-12H2,1-2H3/t15-/m0/s1.
What are the key properties of [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 320.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-methoxy-4-methylcyclohexa-2,4-dien-1-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 146329888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).