1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one

C15H25N3O2 — CID 115713495

IUPAC1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
SMILESC#CCN1CCC(NCCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-7-17-8-4-14(5-9-17)16-6-3-15(19)18-10-12-20-13-11-18/h1,14,16H,3-13H2
InChIKeyRSILFOIEHQADKU-UHFFFAOYSA-N
MW279.38 g/mol
LogP-0.08
Rot. Bonds5

About 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one

1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one (PubChem CID 115713495) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
PubChem CID115713495
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
SMILESC#CCN1CCC(NCCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-7-17-8-4-14(5-9-17)16-6-3-15(19)18-10-12-20-13-11-18/h1,14,16H,3-13H2
InChIKeyRSILFOIEHQADKU-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one with MolForge

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Related Compounds

3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 63727151
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one (CID 115713495) is 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one is C#CCN1CCC(NCCC(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one?
The InChIKey is RSILFOIEHQADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-7-17-8-4-14(5-9-17)16-6-3-15(19)18-10-12-20-13-11-18/h1,14,16H,3-13H2.
What are the key properties of 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one?
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one has a molecular weight of 279.38 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one is sourced from PubChem (CID 115713495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).