1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea

C22H28FN3O2 — CID 126443325

IUPAC1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c23-20-8-6-19(7-9-20)21(16-27)25-22(28)24-12-15-26-13-10-18(11-14-26)17-4-2-1-3-5-17/h1-9,18,21,27H,10-16H2,(H2,24,25,28)/t21-/m0/s1
InChIKeyCTSGTTDNUVBNFI-NRFANRHFSA-N
MW385.48 g/mol
LogP3.04
Rot. Bonds7

About 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea

1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea (PubChem CID 126443325) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
PubChem CID126443325
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c23-20-8-6-19(7-9-20)21(16-27)25-22(28)24-12-15-26-13-10-18(11-14-26)17-4-2-1-3-5-17/h1-9,18,21,27H,10-16H2,(H2,24,25,28)/t21-/m0/s1
InChIKeyCTSGTTDNUVBNFI-NRFANRHFSA-N
XLogP3.04
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 74250613
N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978969
1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
CID 59012208
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 138517632

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea (CID 126443325) is 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea is O=C(NCCN1CCC(c2ccccc2)CC1)N[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The InChIKey is CTSGTTDNUVBNFI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28FN3O2/c23-20-8-6-19(7-9-20)21(16-27)25-22(28)24-12-15-26-13-10-18(11-14-26)17-4-2-1-3-5-17/h1-9,18,21,27H,10-16H2,(H2,24,25,28)/t21-/m0/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea has a molecular weight of 385.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 126443325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).