1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea

C18H29N3O2 — CID 111453794

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H29N3O2/c22-15-7-10-17(16-8-3-1-4-9-16)20-18(23)19-11-14-21-12-5-2-6-13-21/h1,3-4,8-9,17,22H,2,5-7,10-15H2,(H2,19,20,23)
InChIKeyPDSURFZYBFPRBJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds8

About 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea

1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 111453794) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID111453794
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H29N3O2/c22-15-7-10-17(16-8-3-1-4-9-16)20-18(23)19-11-14-21-12-5-2-6-13-21/h1,3-4,8-9,17,22H,2,5-7,10-15H2,(H2,19,20,23)
InChIKeyPDSURFZYBFPRBJ-UHFFFAOYSA-N
XLogP2.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
CID 111453791
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
CID 171986616
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea (CID 111453794) is 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is PDSURFZYBFPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-15-7-10-17(16-8-3-1-4-9-16)20-18(23)19-11-14-21-12-5-2-6-13-21/h1,3-4,8-9,17,22H,2,5-7,10-15H2,(H2,19,20,23).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 111453794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).