3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one

C21H29N3O3 — CID 90042227

IUPAC3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C21H29N3O3/c25-21(24-12-14-26-15-13-24)7-5-17-4-6-20(22-16-17)27-19-8-10-23(11-9-19)18-2-1-3-18/h4-7,16,18-19H,1-3,8-15H2
InChIKeyIFSUFGYLQKSUSN-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.35
Rot. Bonds5

About 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one

3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 90042227) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID90042227
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C21H29N3O3/c25-21(24-12-14-26-15-13-24)7-5-17-4-6-20(22-16-17)27-19-8-10-23(11-9-19)18-2-1-3-18/h4-7,16,18-19H,1-3,8-15H2
InChIKeyIFSUFGYLQKSUSN-UHFFFAOYSA-N
XLogP2.35
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
CID 73295363
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042951
1-[4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]oxy]piperidin-1-yl]-2-phenylethanone
CID 91914135
3-[3-bromo-4-[1-(cyclopropylmethyl)piperidin-4-yl]oxyphenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 118276091
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 11441745
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799214
3-(2-chloro-4-pyridinyl)-1-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]prop-2-en-1-one
CID 126828120
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
(E)-1-(4-cyclopentylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 55774520
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 90616321
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
(2R,3R)-2,3-dihydroxybutanedioic acid;3-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 162340142

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one (CID 90042227) is 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one is O=C(C=Cc1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCOCC1.
What is the InChIKey of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is IFSUFGYLQKSUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-21(24-12-14-26-15-13-24)7-5-17-4-6-20(22-16-17)27-19-8-10-23(11-9-19)18-2-1-3-18/h4-7,16,18-19H,1-3,8-15H2.
What are the key properties of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 371.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 90042227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).