1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea

C23H35N3O2 — CID 145237627

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea
SMILESCC1CC2CC(C1)OC(C)(NC(=O)NC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C23H35N3O2/c1-17-12-19-14-21(13-17)28-23(2,15-19)25-22(27)24-20-8-10-26(11-9-20)16-18-6-4-3-5-7-18/h3-7,17,19-21H,8-16H2,1-2H3,(H2,24,25,27)
InChIKeyISQZKAWDCPCIBB-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.89
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea

1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 145237627) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID145237627
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea
SMILESCC1CC2CC(C1)OC(C)(NC(=O)NC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C23H35N3O2/c1-17-12-19-14-21(13-17)28-23(2,15-19)25-22(27)24-20-8-10-26(11-9-20)16-18-6-4-3-5-7-18/h3-7,17,19-21H,8-16H2,1-2H3,(H2,24,25,27)
InChIKeyISQZKAWDCPCIBB-UHFFFAOYSA-N
XLogP3.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea with MolForge

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Related Compounds

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CID 136517668
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CID 94493957
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
CID 108509213
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea (CID 145237627) is 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea is CC1CC2CC(C1)OC(C)(NC(=O)NC1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is ISQZKAWDCPCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-12-19-14-21(13-17)28-23(2,15-19)25-22(27)24-20-8-10-26(11-9-20)16-18-6-4-3-5-7-18/h3-7,17,19-21H,8-16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea?
1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 385.55 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 145237627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).