1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea

C13H17F2N3O2 — CID 122562368

IUPAC1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCNC[C@H]1O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2N3O2/c14-10-2-1-9(5-11(10)15)18-13(20)17-6-8-3-4-16-7-12(8)19/h1-2,5,8,12,16,19H,3-4,6-7H2,(H2,17,18,20)/t8-,12+/m0/s1
InChIKeyGIDANUNRFFQSCB-QPUJVOFHSA-N
MW285.29 g/mol
LogP1.06
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea

1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea (PubChem CID 122562368) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea
PubChem CID122562368
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCNC[C@H]1O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2N3O2/c14-10-2-1-9(5-11(10)15)18-13(20)17-6-8-3-4-16-7-12(8)19/h1-2,5,8,12,16,19H,3-4,6-7H2,(H2,17,18,20)/t8-,12+/m0/s1
InChIKeyGIDANUNRFFQSCB-QPUJVOFHSA-N
XLogP1.06
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-[[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methyl]urea
CID 166237374
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
1-(3-fluoro-4-methylphenyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 165429682
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 114700125
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
1-(3-fluoro-4-methylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154903223
1-(azepan-2-ylmethyl)-3-(4-fluoro-3-methylphenyl)urea
CID 118778659
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide
CID 60972159
1-(3-chloro-4-fluorophenyl)-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154905367
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea (CID 122562368) is 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea is O=C(NC[C@@H]1CCNC[C@H]1O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea?
The InChIKey is GIDANUNRFFQSCB-QPUJVOFHSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-10-2-1-9(5-11(10)15)18-13(20)17-6-8-3-4-16-7-12(8)19/h1-2,5,8,12,16,19H,3-4,6-7H2,(H2,17,18,20)/t8-,12+/m0/s1.
What are the key properties of 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea?
1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea has a molecular weight of 285.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea is sourced from PubChem (CID 122562368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).