1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea

C20H31N3O2 — CID 75499728

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCCCC1)NCC1CCCC(O)C1
InChIInChI=1S/C20H31N3O2/c24-18-9-6-7-16(13-18)14-21-20(25)22-15-17-8-2-3-10-19(17)23-11-4-1-5-12-23/h2-3,8,10,16,18,24H,1,4-7,9,11-15H2,(H2,21,22,25)
InChIKeyXPJGLMAQQDBVSN-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.03
Rot. Bonds5

About 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea (PubChem CID 75499728) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
PubChem CID75499728
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCCCC1)NCC1CCCC(O)C1
InChIInChI=1S/C20H31N3O2/c24-18-9-6-7-16(13-18)14-21-20(25)22-15-17-8-2-3-10-19(17)23-11-4-1-5-12-23/h2-3,8,10,16,18,24H,1,4-7,9,11-15H2,(H2,21,22,25)
InChIKeyXPJGLMAQQDBVSN-UHFFFAOYSA-N
XLogP3.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013035
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
1-[(5-bromothiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504860
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 102562629
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea (CID 75499728) is 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea is O=C(NCc1ccccc1N1CCCCC1)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The InChIKey is XPJGLMAQQDBVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-18-9-6-7-16(13-18)14-21-20(25)22-15-17-8-2-3-10-19(17)23-11-4-1-5-12-23/h2-3,8,10,16,18,24H,1,4-7,9,11-15H2,(H2,21,22,25).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 75499728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).