1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea

C20H31N3O2 — CID 111109596

IUPAC1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
SMILESCC1CCN(c2ccc(CNC(=O)NC3CCCCC3O)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15-10-12-23(13-11-15)17-8-6-16(7-9-17)14-21-20(25)22-18-4-2-3-5-19(18)24/h6-9,15,18-19,24H,2-5,10-14H2,1H3,(H2,21,22,25)
InChIKeyXVCHPAHZTMNBQZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea

1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea (PubChem CID 111109596) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
PubChem CID111109596
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
SMILESCC1CCN(c2ccc(CNC(=O)NC3CCCCC3O)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15-10-12-23(13-11-15)17-8-6-16(7-9-17)14-21-20(25)22-18-4-2-3-5-19(18)24/h6-9,15,18-19,24H,2-5,10-14H2,1H3,(H2,21,22,25)
InChIKeyXVCHPAHZTMNBQZ-UHFFFAOYSA-N
XLogP3.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-hydroxycyclohexyl)urea
CID 111108523
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
1-methyl-5-[[4-(4-methylpiperidin-1-yl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095973
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea (CID 111109596) is 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea is CC1CCN(c2ccc(CNC(=O)NC3CCCCC3O)cc2)CC1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea?
The InChIKey is XVCHPAHZTMNBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-10-12-23(13-11-15)17-8-6-16(7-9-17)14-21-20(25)22-18-4-2-3-5-19(18)24/h6-9,15,18-19,24H,2-5,10-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea?
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 111109596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).