1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea

C20H25N3O3 — CID 125163782

IUPAC1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
SMILESCOc1ccccc1-c1cccc(NC(=O)NC[C@]2(O)CCCNC2)c1
InChIInChI=1S/C20H25N3O3/c1-26-18-9-3-2-8-17(18)15-6-4-7-16(12-15)23-19(24)22-14-20(25)10-5-11-21-13-20/h2-4,6-9,12,21,25H,5,10-11,13-14H2,1H3,(H2,22,23,24)/t20-/m0/s1
InChIKeyUUQSUKHRTYYPDN-FQEVSTJZSA-N
MW355.44 g/mol
LogP2.60
Rot. Bonds5

About 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea

1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea (PubChem CID 125163782) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea.

Molecular Properties

Compound Name1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
PubChem CID125163782
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
SMILESCOc1ccccc1-c1cccc(NC(=O)NC[C@]2(O)CCCNC2)c1
InChIInChI=1S/C20H25N3O3/c1-26-18-9-3-2-8-17(18)15-6-4-7-16(12-15)23-19(24)22-14-20(25)10-5-11-21-13-20/h2-4,6-9,12,21,25H,5,10-11,13-14H2,1H3,(H2,22,23,24)/t20-/m0/s1
InChIKeyUUQSUKHRTYYPDN-FQEVSTJZSA-N
XLogP2.60
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169385
N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956
1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
CID 125162716
1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
CID 84597411
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 74248365
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
CID 111117104
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
1-(3-butoxyphenyl)-3-[(3-hydroxypyrrolidin-3-yl)methyl]urea
CID 118785673
methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol
CID 95897802

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea?
The IUPAC name of 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea (CID 125163782) is 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea.
What is the SMILES notation for 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea?
The canonical SMILES for 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea is COc1ccccc1-c1cccc(NC(=O)NC[C@]2(O)CCCNC2)c1.
What is the InChIKey of 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea?
The InChIKey is UUQSUKHRTYYPDN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-18-9-3-2-8-17(18)15-6-4-7-16(12-15)23-19(24)22-14-20(25)10-5-11-21-13-20/h2-4,6-9,12,21,25H,5,10-11,13-14H2,1H3,(H2,22,23,24)/t20-/m0/s1.
What are the key properties of 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea?
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea is sourced from PubChem (CID 125163782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).