1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea

C19H27FN4O3 — CID 120929396

IUPAC1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(CNC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C19H27FN4O3/c1-13-17(21-7-9-27-13)18(25)24-8-3-4-14(12-24)11-22-19(26)23-16-6-2-5-15(20)10-16/h2,5-6,10,13-14,17,21H,3-4,7-9,11-12H2,1H3,(H2,22,23,26)/t13-,14?,17+/m1/s1
InChIKeyPZFUQRZLVIQIFA-HFIQTRLSSA-N
MW378.45 g/mol
LogP1.56
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea

1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea (PubChem CID 120929396) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea
PubChem CID120929396
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(CNC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C19H27FN4O3/c1-13-17(21-7-9-27-13)18(25)24-8-3-4-14(12-24)11-22-19(26)23-16-6-2-5-15(20)10-16/h2,5-6,10,13-14,17,21H,3-4,7-9,11-12H2,1H3,(H2,22,23,26)/t13-,14?,17+/m1/s1
InChIKeyPZFUQRZLVIQIFA-HFIQTRLSSA-N
XLogP1.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-(3-fluorophenyl)-3-[[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]methyl]urea;hydrochloride
CID 119761798
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-(3-fluorophenyl)-3-[[1-[2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 51134754
1-(3-fluorophenyl)-3-[[(3R)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 52522857
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 120929380
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea (CID 120929396) is 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea is C[C@H]1OCCN[C@@H]1C(=O)N1CCCC(CNC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea?
The InChIKey is PZFUQRZLVIQIFA-HFIQTRLSSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-13-17(21-7-9-27-13)18(25)24-8-3-4-14(12-24)11-22-19(26)23-16-6-2-5-15(20)10-16/h2,5-6,10,13-14,17,21H,3-4,7-9,11-12H2,1H3,(H2,22,23,26)/t13-,14?,17+/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea?
1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea has a molecular weight of 378.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 120929396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).