1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea

C20H25N3O — CID 22966123

IUPAC1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@@H]1C[C@H](Cc2ccccc2)CCN1)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(23-18-9-5-2-6-10-18)22-15-19-14-17(11-12-21-19)13-16-7-3-1-4-8-16/h1-10,17,19,21H,11-15H2,(H2,22,23,24)/t17-,19-/m0/s1
InChIKeyYIVXSBPGHFKPNJ-HKUYNNGSSA-N
MW323.44 g/mol
LogP3.42
Rot. Bonds5

About 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea

1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea (PubChem CID 22966123) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea
PubChem CID22966123
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@@H]1C[C@H](Cc2ccccc2)CCN1)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(23-18-9-5-2-6-10-18)22-15-19-14-17(11-12-21-19)13-16-7-3-1-4-8-16/h1-10,17,19,21H,11-15H2,(H2,22,23,24)/t17-,19-/m0/s1
InChIKeyYIVXSBPGHFKPNJ-HKUYNNGSSA-N
XLogP3.42
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966138
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 22966146
1-(3-acetylphenyl)-3-[[(2R,4S)-4-benzylpiperidin-2-yl]methyl]urea
CID 142001085
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
1-[3-[(2R,4S)-4-benzylpiperidin-2-yl]propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 22966082
(4-benzylpiperidin-2-yl)methanol
CID 91169099
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
ethyl 3-[3-[(2S,4R)-4-benzylpiperidin-2-yl]propylcarbamoylamino]benzoate
CID 154428702
ethyl 3-[[(2S,5S)-5-benzylpiperidin-2-yl]methylcarbamoylamino]benzoate
CID 22966133
diethyl 2-[(4-benzylpiperidin-2-yl)methyl]propanedioate
CID 18621453
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
1-(3-fluorophenyl)-3-[[(2S,5R)-5-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]urea
CID 22966109

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea (CID 22966123) is 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea is O=C(NC[C@@H]1C[C@H](Cc2ccccc2)CCN1)Nc1ccccc1.
What is the InChIKey of 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is YIVXSBPGHFKPNJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(23-18-9-5-2-6-10-18)22-15-19-14-17(11-12-21-19)13-16-7-3-1-4-8-16/h1-10,17,19,21H,11-15H2,(H2,22,23,24)/t17-,19-/m0/s1.
What are the key properties of 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea?
1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 323.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4R)-4-benzylpiperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 22966123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).