(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone

C18H27N3O2 — CID 74778652

IUPAC(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCC1NNCC1C(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-14-17(12-19-20-14)18(22)21-10-11-23-16(13-21)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19-20H,5,8-13H2,1H3
InChIKeyWSVCSHYNEJRGTK-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.35
Rot. Bonds5

About (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone

(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone (PubChem CID 74778652) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
PubChem CID74778652
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCC1NNCC1C(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-14-17(12-19-20-14)18(22)21-10-11-23-16(13-21)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19-20H,5,8-13H2,1H3
InChIKeyWSVCSHYNEJRGTK-UHFFFAOYSA-N
XLogP1.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
CID 42515268
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 42392703
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The IUPAC name of (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone (CID 74778652) is (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone is CC1NNCC1C(=O)N1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The InChIKey is WSVCSHYNEJRGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-17(12-19-20-14)18(22)21-10-11-23-16(13-21)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19-20H,5,8-13H2,1H3.
What are the key properties of (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 74778652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).