1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea

C24H33N3O2 — CID 70135068

IUPAC1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
SMILESCCOc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1
InChIInChI=1S/C24H33N3O2/c1-2-29-23-13-6-12-22(18-23)26-24(28)25-14-8-16-27-15-7-11-21(19-27)17-20-9-4-3-5-10-20/h3-6,9-10,12-13,18,21H,2,7-8,11,14-17,19H2,1H3,(H2,25,26,28)
InChIKeyNQEBDCLGENOHLE-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.55
Rot. Bonds9

About 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea

1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea (PubChem CID 70135068) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
PubChem CID70135068
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
SMILESCCOc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1
InChIInChI=1S/C24H33N3O2/c1-2-29-23-13-6-12-22(18-23)26-24(28)25-14-8-16-27-15-7-11-21(19-27)17-20-9-4-3-5-10-20/h3-6,9-10,12-13,18,21H,2,7-8,11,14-17,19H2,1H3,(H2,25,26,28)
InChIKeyNQEBDCLGENOHLE-UHFFFAOYSA-N
XLogP4.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]-3-(3-methoxyphenyl)urea
CID 22393472
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401
1-[3-(azepan-1-yl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 100616869
1-(3-cyanophenyl)-3-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]urea
CID 22393300
1-(3-cyanophenyl)-3-[3-[3-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393396
1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
CID 22393346
3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propylcarbamoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 87975887
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393448
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-(2,3-dihydro-1H-indol-5-yl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393444
1-(2,5-dimethoxyphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393322
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea?
The IUPAC name of 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea (CID 70135068) is 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea.
What is the SMILES notation for 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea?
The canonical SMILES for 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea is CCOc1cccc(NC(=O)NCCCN2CCCC(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea?
The InChIKey is NQEBDCLGENOHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-29-23-13-6-12-22(18-23)26-24(28)25-14-8-16-27-15-7-11-21(19-27)17-20-9-4-3-5-10-20/h3-6,9-10,12-13,18,21H,2,7-8,11,14-17,19H2,1H3,(H2,25,26,28).
What are the key properties of 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea?
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea has a molecular weight of 395.55 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea is sourced from PubChem (CID 70135068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).