[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol

C21H30N4O2 — CID 118263775

IUPAC[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(-c2ncco2)c1
InChIInChI=1S/C21H30N4O2/c1-15-11-18(21-22-8-10-27-21)20(23-12-15)25-9-7-19(16(13-25)14-26)24-17-5-3-2-4-6-17/h8,10-12,16-17,19,24,26H,2-7,9,13-14H2,1H3
InChIKeyXOSGIGLAWNCRRB-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.15
Rot. Bonds5

About [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol

[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 118263775) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID118263775
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(-c2ncco2)c1
InChIInChI=1S/C21H30N4O2/c1-15-11-18(21-22-8-10-27-21)20(23-12-15)25-9-7-19(16(13-25)14-26)24-17-5-3-2-4-6-17/h8,10-12,16-17,19,24,26H,2-7,9,13-14H2,1H3
InChIKeyXOSGIGLAWNCRRB-UHFFFAOYSA-N
XLogP3.15
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[3-[4-[2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10526831
Dipyridodiazepinone deriv. 48
CID 463568
6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide
CID 71217334
[(2S,3R)-3-[(5-chloropyrazin-2-yl)amino]-2-methylpiperidin-1-yl]-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 86270733
[6-methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271019
[(2S,3R)-3-[(5-bromo-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90404696
[5-methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 90404832
[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90405052
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-(1,3-oxazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 149911458
3-amino-N-(1-(2,6-difluorophenyl)-2-hydroxyethyl)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-(oxazol-2-yl) pyrazine-2-carboxamide
CID 155209384
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 155781241
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 155781253

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol (CID 118263775) is [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol is Cc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(-c2ncco2)c1.
What is the InChIKey of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is XOSGIGLAWNCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-11-18(21-22-8-10-27-21)20(23-12-15)25-9-7-19(16(13-25)14-26)24-17-5-3-2-4-6-17/h8,10-12,16-17,19,24,26H,2-7,9,13-14H2,1H3.
What are the key properties of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).