morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone

C26H36N6O2 — CID 45205688

IUPACmorpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
SMILESO=C(c1ccc(N2CCC(NCC3CCCN(c4ncccn4)C3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C26H36N6O2/c33-25(31-15-17-34-18-16-31)22-4-6-24(7-5-22)30-13-8-23(9-14-30)29-19-21-3-1-12-32(20-21)26-27-10-2-11-28-26/h2,4-7,10-11,21,23,29H,1,3,8-9,12-20H2
InChIKeyDGYIVYKUMUVMML-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.42
Rot. Bonds6

About morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone

morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone (PubChem CID 45205688) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
PubChem CID45205688
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Namemorpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
SMILESO=C(c1ccc(N2CCC(NCC3CCCN(c4ncccn4)C3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C26H36N6O2/c33-25(31-15-17-34-18-16-31)22-4-6-24(7-5-22)30-13-8-23(9-14-30)29-19-21-3-1-12-32(20-21)26-27-10-2-11-28-26/h2,4-7,10-11,21,23,29H,1,3,8-9,12-20H2
InChIKeyDGYIVYKUMUVMML-UHFFFAOYSA-N
XLogP2.42
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
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CID 99715561
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
[4-[4-(2-adamantylmethylamino)piperidin-1-yl]phenyl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 25295009
(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
CID 99853750
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 118757978
(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45187786
[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 26361591
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone (CID 45205688) is morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone is O=C(c1ccc(N2CCC(NCC3CCCN(c4ncccn4)C3)CC2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone?
The InChIKey is DGYIVYKUMUVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c33-25(31-15-17-34-18-16-31)22-4-6-24(7-5-22)30-13-8-23(9-14-30)29-19-21-3-1-12-32(20-21)26-27-10-2-11-28-26/h2,4-7,10-11,21,23,29H,1,3,8-9,12-20H2.
What are the key properties of morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone?
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone has a molecular weight of 464.61 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone is sourced from PubChem (CID 45205688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).