cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C25H33N5O2 — CID 110219759

IUPACcyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2nc(N3CCOCC3)ncc2-c2ccncc2)C1
InChIInChI=1S/C25H33N5O2/c31-24(20-5-2-1-3-6-20)30-12-4-7-21(18-30)23-22(19-8-10-26-11-9-19)17-27-25(28-23)29-13-15-32-16-14-29/h8-11,17,20-21H,1-7,12-16,18H2
InChIKeyVPPVKWVPRDVQCO-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.66
Rot. Bonds4

About cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110219759) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110219759
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Namecyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2nc(N3CCOCC3)ncc2-c2ccncc2)C1
InChIInChI=1S/C25H33N5O2/c31-24(20-5-2-1-3-6-20)30-12-4-7-21(18-30)23-22(19-8-10-26-11-9-19)17-27-25(28-23)29-13-15-32-16-14-29/h8-11,17,20-21H,1-7,12-16,18H2
InChIKeyVPPVKWVPRDVQCO-UHFFFAOYSA-N
XLogP3.66
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110219765
(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219767
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
1-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51593591
pyridin-4-yl-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46960056
3-methyl-1-[3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 110219740
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400
furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952714
[(3R)-3-(2-piperidin-1-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95808369
ethyl 2-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 95799941

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 110219759) is cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(c2nc(N3CCOCC3)ncc2-c2ccncc2)C1.
What is the InChIKey of cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is VPPVKWVPRDVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-24(20-5-2-1-3-6-20)30-12-4-7-21(18-30)23-22(19-8-10-26-11-9-19)17-27-25(28-23)29-13-15-32-16-14-29/h8-11,17,20-21H,1-7,12-16,18H2.
What are the key properties of cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 435.57 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110219759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).