1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea

C21H27N3O2 — CID 74244259

IUPAC1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(O)CC1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c25-19-10-13-24(14-11-19)15-12-22-21(26)23-20-9-5-4-8-18(20)16-17-6-2-1-3-7-17/h1-9,19,25H,10-16H2,(H2,22,23,26)
InChIKeyGSMRYOAHTJBWKV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea

1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea (PubChem CID 74244259) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
PubChem CID74244259
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(O)CC1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c25-19-10-13-24(14-11-19)15-12-22-21(26)23-20-9-5-4-8-18(20)16-17-6-2-1-3-7-17/h1-9,19,25H,10-16H2,(H2,22,23,26)
InChIKeyGSMRYOAHTJBWKV-UHFFFAOYSA-N
XLogP2.86
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-benzyl-3-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 11133428
1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea
CID 138054189
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 11437461
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea (CID 74244259) is 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea is O=C(NCCN1CCC(O)CC1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea?
The InChIKey is GSMRYOAHTJBWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-19-10-13-24(14-11-19)15-12-22-21(26)23-20-9-5-4-8-18(20)16-17-6-2-1-3-7-17/h1-9,19,25H,10-16H2,(H2,22,23,26).
What are the key properties of 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea?
1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea has a molecular weight of 353.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 74244259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).