1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea

C18H29N3O2 — CID 111754331

IUPAC1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea
SMILESCCC(CC)(CO)NC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-3-18(4-2,14-22)20-17(23)19-15-10-6-7-11-16(15)21-12-8-5-9-13-21/h6-7,10-11,22H,3-5,8-9,12-14H2,1-2H3,(H2,19,20,23)
InChIKeySHHCHSUYZLSHEU-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.35
Rot. Bonds6

About 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea

1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea (PubChem CID 111754331) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea
PubChem CID111754331
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea
SMILESCCC(CC)(CO)NC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-3-18(4-2,14-22)20-17(23)19-15-10-6-7-11-16(15)21-12-8-5-9-13-21/h6-7,10-11,22H,3-5,8-9,12-14H2,1-2H3,(H2,19,20,23)
InChIKeySHHCHSUYZLSHEU-UHFFFAOYSA-N
XLogP3.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111754474
1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-piperidin-1-ylphenyl)urea
CID 111754335
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
2,2,2-trichloro-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 890592
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-[2-(azepan-1-yl)phenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925944
2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
CID 81413196

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea (CID 111754331) is 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea is CCC(CC)(CO)NC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
The InChIKey is SHHCHSUYZLSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-18(4-2,14-22)20-17(23)19-15-10-6-7-11-16(15)21-12-8-5-9-13-21/h6-7,10-11,22H,3-5,8-9,12-14H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea has a molecular weight of 319.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 111754331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).