[(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone

C15H23N3O3 — CID 164642335

IUPAC[(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone
SMILESCOC[C@H]1COCCN1C(=O)c1cnc2n1CCCCC2
InChIInChI=1S/C15H23N3O3/c1-20-10-12-11-21-8-7-17(12)15(19)13-9-16-14-5-3-2-4-6-18(13)14/h9,12H,2-8,10-11H2,1H3/t12-/m0/s1
InChIKeySXOSOPYICRHGQW-LBPRGKRZSA-N
MW293.37 g/mol
LogP1.10
Rot. Bonds3

About [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone

[(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone (PubChem CID 164642335) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone
PubChem CID164642335
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone
SMILESCOC[C@H]1COCCN1C(=O)c1cnc2n1CCCCC2
InChIInChI=1S/C15H23N3O3/c1-20-10-12-11-21-8-7-17(12)15(19)13-9-16-14-5-3-2-4-6-18(13)14/h9,12H,2-8,10-11H2,1H3/t12-/m0/s1
InChIKeySXOSOPYICRHGQW-LBPRGKRZSA-N
XLogP1.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone?
The IUPAC name of [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone (CID 164642335) is [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone?
The canonical SMILES for [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone is COC[C@H]1COCCN1C(=O)c1cnc2n1CCCCC2.
What is the InChIKey of [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone?
The InChIKey is SXOSOPYICRHGQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-10-12-11-21-8-7-17(12)15(19)13-9-16-14-5-3-2-4-6-18(13)14/h9,12H,2-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone?
[(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methoxymethyl)morpholin-4-yl]-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl)methanone is sourced from PubChem (CID 164642335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).