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

C19H29N3O2 — CID 111443366

IUPAC1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC1CCN(c2cccc(NC(=O)NC3CCC(O)CC3)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-14-9-11-22(12-10-14)17-4-2-3-16(13-17)21-19(24)20-15-5-7-18(23)8-6-15/h2-4,13-15,18,23H,5-12H2,1H3,(H2,20,21,24)
InChIKeyMITYRBXMLFUEGO-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.35
Rot. Bonds3

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

1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 111443366) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID111443366
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC1CCN(c2cccc(NC(=O)NC3CCC(O)CC3)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-14-9-11-22(12-10-14)17-4-2-3-16(13-17)21-19(24)20-15-5-7-18(23)8-6-15/h2-4,13-15,18,23H,5-12H2,1H3,(H2,20,21,24)
InChIKeyMITYRBXMLFUEGO-UHFFFAOYSA-N
XLogP3.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111636999
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
4-[[[3-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]methyl]benzoic acid
CID 122085263
1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide
CID 48748137
2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
CID 120597159
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea (CID 111443366) is 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea is CC1CCN(c2cccc(NC(=O)NC3CCC(O)CC3)c2)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is MITYRBXMLFUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-9-11-22(12-10-14)17-4-2-3-16(13-17)21-19(24)20-15-5-7-18(23)8-6-15/h2-4,13-15,18,23H,5-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea has a molecular weight of 331.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 111443366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).