N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide

C15H22N4O3 — CID 118791285

IUPACN-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C15H22N4O3/c1-10(20)19(2)12-5-3-4-11(8-12)17-15(22)18-13-9-16-7-6-14(13)21/h3-5,8,13-14,16,21H,6-7,9H2,1-2H3,(H2,17,18,22)/t13-,14-/m1/s1
InChIKeyCLJPSJVENGIUIU-ZIAGYGMSSA-N
MW306.37 g/mol
LogP0.51
Rot. Bonds3

About N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide

N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide (PubChem CID 118791285) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide
PubChem CID118791285
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C15H22N4O3/c1-10(20)19(2)12-5-3-4-11(8-12)17-15(22)18-13-9-16-7-6-14(13)21/h3-5,8,13-14,16,21H,6-7,9H2,1-2H3,(H2,17,18,22)/t13-,14-/m1/s1
InChIKeyCLJPSJVENGIUIU-ZIAGYGMSSA-N
XLogP0.51
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
CID 118767524
1-(3-fluoro-4-methylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154903223
1-(3-chloro-4-fluorophenyl)-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154905367
N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide
CID 125141651
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[3-[acetyl(methyl)amino]phenyl]-4-fluorobenzamide
CID 46761784
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide (CID 118791285) is N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CNCC[C@H]2O)c1.
What is the InChIKey of N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is CLJPSJVENGIUIU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(20)19(2)12-5-3-4-11(8-12)17-15(22)18-13-9-16-7-6-14(13)21/h3-5,8,13-14,16,21H,6-7,9H2,1-2H3,(H2,17,18,22)/t13-,14-/m1/s1.
What are the key properties of N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide?
N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 306.37 g/mol, XLogP of 0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 118791285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).