1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea

C19H23N3O3 — CID 118761947

IUPAC1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea
SMILESCc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CCNC[C@H]2O)c1
InChIInChI=1S/C19H23N3O3/c1-13-5-4-6-14(11-13)25-18-8-3-2-7-16(18)22-19(24)21-15-9-10-20-12-17(15)23/h2-8,11,15,17,20,23H,9-10,12H2,1H3,(H2,21,22,24)/t15-,17-/m1/s1
InChIKeyOWSUISNVIKYVRI-NVXWUHKLSA-N
MW341.41 g/mol
LogP2.63
Rot. Bonds4

About 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea

1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea (PubChem CID 118761947) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea
PubChem CID118761947
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea
SMILESCc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CCNC[C@H]2O)c1
InChIInChI=1S/C19H23N3O3/c1-13-5-4-6-14(11-13)25-18-8-3-2-7-16(18)22-19(24)21-15-9-10-20-12-17(15)23/h2-8,11,15,17,20,23H,9-10,12H2,1H3,(H2,21,22,24)/t15-,17-/m1/s1
InChIKeyOWSUISNVIKYVRI-NVXWUHKLSA-N
XLogP2.63
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
1-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-[2-(3-methylphenoxy)phenyl]urea
CID 133119276
N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 97318590
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680433
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea
CID 72887475
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea?
The IUPAC name of 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea (CID 118761947) is 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea?
The canonical SMILES for 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea is Cc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CCNC[C@H]2O)c1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea?
The InChIKey is OWSUISNVIKYVRI-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-4-6-14(11-13)25-18-8-3-2-7-16(18)22-19(24)21-15-9-10-20-12-17(15)23/h2-8,11,15,17,20,23H,9-10,12H2,1H3,(H2,21,22,24)/t15-,17-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea?
1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea is sourced from PubChem (CID 118761947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).