1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea

C22H29N3O3 — CID 86831832

IUPAC1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
SMILESCc1ccc(OCC(O)CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17-7-9-21(10-8-17)28-16-20(26)15-25-13-11-19(12-14-25)24-22(27)23-18-5-3-2-4-6-18/h2-10,19-20,26H,11-16H2,1H3,(H2,23,24,27)
InChIKeyKZFQOFOYWRMEPY-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.02
Rot. Bonds7

About 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea

1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea (PubChem CID 86831832) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
PubChem CID86831832
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
SMILESCc1ccc(OCC(O)CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17-7-9-21(10-8-17)28-16-20(26)15-25-13-11-19(12-14-25)24-22(27)23-18-5-3-2-4-6-18/h2-10,19-20,26H,11-16H2,1H3,(H2,23,24,27)
InChIKeyKZFQOFOYWRMEPY-UHFFFAOYSA-N
XLogP3.02
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
CID 43039511
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-phenylacetamide
CID 46512603
2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide
CID 58723293
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
CID 47039869
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
CID 56976603

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea (CID 86831832) is 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea is Cc1ccc(OCC(O)CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea?
The InChIKey is KZFQOFOYWRMEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-7-9-21(10-8-17)28-16-20(26)15-25-13-11-19(12-14-25)24-22(27)23-18-5-3-2-4-6-18/h2-10,19-20,26H,11-16H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea?
1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea has a molecular weight of 383.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 86831832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).