1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea

C20H33N3O2 — CID 111450668

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCN(C(C)CNC(=O)NCC(CCO)c2ccccc2)C1
InChIInChI=1S/C20H33N3O2/c1-16-7-6-11-23(15-16)17(2)13-21-20(25)22-14-19(10-12-24)18-8-4-3-5-9-18/h3-5,8-9,16-17,19,24H,6-7,10-15H2,1-2H3,(H2,21,22,25)
InChIKeySWUDBKXLYKGIFE-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.57
Rot. Bonds8

About 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea

1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea (PubChem CID 111450668) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
PubChem CID111450668
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCN(C(C)CNC(=O)NCC(CCO)c2ccccc2)C1
InChIInChI=1S/C20H33N3O2/c1-16-7-6-11-23(15-16)17(2)13-21-20(25)22-14-19(10-12-24)18-8-4-3-5-9-18/h3-5,8-9,16-17,19,24H,6-7,10-15H2,1-2H3,(H2,21,22,25)
InChIKeySWUDBKXLYKGIFE-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111450528
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109409300
3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
CID 119850745
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109410744
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]urea
CID 100844722
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56584237
1-[2-(3-methylpiperidin-1-yl)propyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 55696095
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea (CID 111450668) is 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea is CC1CCCN(C(C)CNC(=O)NCC(CCO)c2ccccc2)C1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea?
The InChIKey is SWUDBKXLYKGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-7-6-11-23(15-16)17(2)13-21-20(25)22-14-19(10-12-24)18-8-4-3-5-9-18/h3-5,8-9,16-17,19,24H,6-7,10-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea?
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea has a molecular weight of 347.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 111450668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).