1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea

C20H33N3O2 — CID 111334587

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
SMILESCC1CCCCN1CCCCNC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-17-10-6-8-14-23(17)15-9-7-13-21-19(24)22-16-20(2,25)18-11-4-3-5-12-18/h3-5,11-12,17,25H,6-10,13-16H2,1-2H3,(H2,21,22,24)
InChIKeyCRRZOXICRSLHDW-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.85
Rot. Bonds8

About 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea

1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea (PubChem CID 111334587) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
PubChem CID111334587
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
SMILESCC1CCCCN1CCCCNC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-17-10-6-8-14-23(17)15-9-7-13-21-19(24)22-16-20(2,25)18-11-4-3-5-12-18/h3-5,11-12,17,25H,6-10,13-16H2,1-2H3,(H2,21,22,24)
InChIKeyCRRZOXICRSLHDW-UHFFFAOYSA-N
XLogP2.85
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 55770071
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea (CID 111334587) is 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea is CC1CCCCN1CCCCNC(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The InChIKey is CRRZOXICRSLHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-17-10-6-8-14-23(17)15-9-7-13-21-19(24)22-16-20(2,25)18-11-4-3-5-12-18/h3-5,11-12,17,25H,6-10,13-16H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea has a molecular weight of 347.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea is sourced from PubChem (CID 111334587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).