cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone

C23H35N3O2 — CID 91916226

IUPACcyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(N(Cc2cccnc2)C2CCOCC2)CC1
InChIInChI=1S/C23H35N3O2/c27-23(20-6-2-1-3-7-20)25-13-8-21(9-14-25)26(22-10-15-28-16-11-22)18-19-5-4-12-24-17-19/h4-5,12,17,20-22H,1-3,6-11,13-16,18H2
InChIKeyFOXJMKZPFHVAFH-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.63
Rot. Bonds5

About cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone

cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone (PubChem CID 91916226) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
PubChem CID91916226
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Namecyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(N(Cc2cccnc2)C2CCOCC2)CC1
InChIInChI=1S/C23H35N3O2/c27-23(20-6-2-1-3-7-20)25-13-8-21(9-14-25)26(22-10-15-28-16-11-22)18-19-5-4-12-24-17-19/h4-5,12,17,20-22H,1-3,6-11,13-16,18H2
InChIKeyFOXJMKZPFHVAFH-UHFFFAOYSA-N
XLogP3.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
[4-[benzyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 91916218
cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 100627782
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906
1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354787
(4-fluoropiperidin-1-yl)-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95563925
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone (CID 91916226) is cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(N(Cc2cccnc2)C2CCOCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone?
The InChIKey is FOXJMKZPFHVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c27-23(20-6-2-1-3-7-20)25-13-8-21(9-14-25)26(22-10-15-28-16-11-22)18-19-5-4-12-24-17-19/h4-5,12,17,20-22H,1-3,6-11,13-16,18H2.
What are the key properties of cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone?
cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone has a molecular weight of 385.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 91916226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).