1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea

C18H21N3O — CID 124564227

IUPAC1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc([C@H]2CCCNC2)c1
InChIInChI=1S/C18H21N3O/c22-18(20-16-8-2-1-3-9-16)21-17-10-4-6-14(12-17)15-7-5-11-19-13-15/h1-4,6,8-10,12,15,19H,5,7,11,13H2,(H2,20,21,22)/t15-/m0/s1
InChIKeyZICMULPEURVGHF-HNNXBMFYSA-N
MW295.39 g/mol
LogP3.80
Rot. Bonds3

About 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea

1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea (PubChem CID 124564227) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
PubChem CID124564227
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc([C@H]2CCCNC2)c1
InChIInChI=1S/C18H21N3O/c22-18(20-16-8-2-1-3-9-16)21-17-10-4-6-14(12-17)15-7-5-11-19-13-15/h1-4,6,8-10,12,15,19H,5,7,11,13H2,(H2,20,21,22)/t15-/m0/s1
InChIKeyZICMULPEURVGHF-HNNXBMFYSA-N
XLogP3.80
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124637039
(3R,4R)-3-[3-[[3-[(3R,4R)-4-carboxypiperidin-3-yl]phenyl]carbamoylamino]phenyl]piperidine-4-carboxylic acid
CID 176684689
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
3-piperidin-3-ylbenzenethiol
CID 116988736
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea (CID 124564227) is 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea is O=C(Nc1ccccc1)Nc1cccc([C@H]2CCCNC2)c1.
What is the InChIKey of 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea?
The InChIKey is ZICMULPEURVGHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(20-16-8-2-1-3-9-16)21-17-10-4-6-14(12-17)15-7-5-11-19-13-15/h1-4,6,8-10,12,15,19H,5,7,11,13H2,(H2,20,21,22)/t15-/m0/s1.
What are the key properties of 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea?
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea has a molecular weight of 295.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea is sourced from PubChem (CID 124564227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).