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

C22H31N3O2 — CID 73295363

IUPAC(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C22H31N3O2/c26-22(25-13-2-1-3-14-25)10-8-18-7-9-21(23-17-18)27-20-11-15-24(16-12-20)19-5-4-6-19/h7-10,17,19-20H,1-6,11-16H2/b10-8+
InChIKeyLVJAAIKSFMJQCT-CSKARUKUSA-N
MW369.51 g/mol
LogP3.50
Rot. Bonds5

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

(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 73295363) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID73295363
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C22H31N3O2/c26-22(25-13-2-1-3-14-25)10-8-18-7-9-21(23-17-18)27-20-11-15-24(16-12-20)19-5-4-6-19/h7-10,17,19-20H,1-6,11-16H2/b10-8+
InChIKeyLVJAAIKSFMJQCT-CSKARUKUSA-N
XLogP3.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042227
(E)-1-(4-cyclopentylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 55774520
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 58243445
(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 58649586
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
6-(1-cyclobutylpiperidin-4-yl)oxy-N-phenylpyridin-3-amine
CID 66784320
N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide
CID 91944030
(E)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90617374
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799214
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042951
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 68776266

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one (CID 73295363) is (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCCCC1.
What is the InChIKey of (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is LVJAAIKSFMJQCT-CSKARUKUSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-22(25-13-2-1-3-14-25)10-8-18-7-9-21(23-17-18)27-20-11-15-24(16-12-20)19-5-4-6-19/h7-10,17,19-20H,1-6,11-16H2/b10-8+.
What are the key properties of (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 369.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 73295363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).