1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea

C23H32N4O — CID 42951351

IUPAC1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea
SMILESCN(C)CC(NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-26(2)18-22(20-11-7-4-8-12-20)25-23(28)24-21-13-15-27(16-14-21)17-19-9-5-3-6-10-19/h3-12,21-22H,13-18H2,1-2H3,(H2,24,25,28)
InChIKeyPDSAYRGGCMGBTH-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.25
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea

1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea (PubChem CID 42951351) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea
PubChem CID42951351
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea
SMILESCN(C)CC(NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-26(2)18-22(20-11-7-4-8-12-20)25-23(28)24-21-13-15-27(16-14-21)17-19-9-5-3-6-10-19/h3-12,21-22H,13-18H2,1-2H3,(H2,24,25,28)
InChIKeyPDSAYRGGCMGBTH-UHFFFAOYSA-N
XLogP3.25
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea (CID 42951351) is 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea is CN(C)CC(NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
The InChIKey is PDSAYRGGCMGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-26(2)18-22(20-11-7-4-8-12-20)25-23(28)24-21-13-15-27(16-14-21)17-19-9-5-3-6-10-19/h3-12,21-22H,13-18H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea has a molecular weight of 380.54 g/mol, XLogP of 3.25, 7 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-[2-(dimethylamino)-1-phenylethyl]urea is sourced from PubChem (CID 42951351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).