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

C19H23N3O — CID 124637039

IUPAC1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea
SMILESCN(C(=O)Nc1ccccc1)c1cccc([C@H]2CCCNC2)c1
InChIInChI=1S/C19H23N3O/c1-22(19(23)21-17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-20-14-16/h2-5,7,9-11,13,16,20H,6,8,12,14H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyLLUSSGYIOACFLV-INIZCTEOSA-N
MW309.41 g/mol
LogP3.82
Rot. Bonds3

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

1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea (PubChem CID 124637039) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea
PubChem CID124637039
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea
SMILESCN(C(=O)Nc1ccccc1)c1cccc([C@H]2CCCNC2)c1
InChIInChI=1S/C19H23N3O/c1-22(19(23)21-17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-20-14-16/h2-5,7,9-11,13,16,20H,6,8,12,14H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyLLUSSGYIOACFLV-INIZCTEOSA-N
XLogP3.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
methyl 2-(3-piperidin-3-ylphenyl)butanoate
CID 116988779
2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 119676613
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea?
The IUPAC name of 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea (CID 124637039) is 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea.
What is the SMILES notation for 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea?
The canonical SMILES for 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea is CN(C(=O)Nc1ccccc1)c1cccc([C@H]2CCCNC2)c1.
What is the InChIKey of 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea?
The InChIKey is LLUSSGYIOACFLV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22(19(23)21-17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-20-14-16/h2-5,7,9-11,13,16,20H,6,8,12,14H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea?
1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea has a molecular weight of 309.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1-[3-[(3R)-piperidin-3-yl]phenyl]urea is sourced from PubChem (CID 124637039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).