1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea

C22H36N4O2 — CID 75396921

IUPAC1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea
SMILESCC(C)(C)Oc1cccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C22H36N4O2/c1-22(2,3)28-20-11-7-10-19(23-20)16-26-14-12-18(13-15-26)25-21(27)24-17-8-5-4-6-9-17/h7,10-11,17-18H,4-6,8-9,12-16H2,1-3H3,(H2,24,25,27)
InChIKeyBFGMLQMGFHFOKS-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.86
Rot. Bonds5

About 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea

1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea (PubChem CID 75396921) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea
PubChem CID75396921
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea
SMILESCC(C)(C)Oc1cccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C22H36N4O2/c1-22(2,3)28-20-11-7-10-19(23-20)16-26-14-12-18(13-15-26)25-21(27)24-17-8-5-4-6-9-17/h7,10-11,17-18H,4-6,8-9,12-16H2,1-3H3,(H2,24,25,27)
InChIKeyBFGMLQMGFHFOKS-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 97086567
N-[1-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 106909367
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
tert-butyl N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]carbamate;bis(4-methylbenzenesulfonic acid)
CID 10189773
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111479509
1-cyclohexyl-3-[1-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperidin-4-yl]urea
CID 86803452
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
1-cyclohexyl-3-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]urea
CID 47070677
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea (CID 75396921) is 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea is CC(C)(C)Oc1cccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea?
The InChIKey is BFGMLQMGFHFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-22(2,3)28-20-11-7-10-19(23-20)16-26-14-12-18(13-15-26)25-21(27)24-17-8-5-4-6-9-17/h7,10-11,17-18H,4-6,8-9,12-16H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea?
1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea has a molecular weight of 388.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 75396921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).