1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea

C15H21FN4O2 — CID 86859369

IUPAC1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
SMILESCNC(=O)NNC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H21FN4O2/c1-17-15(22)19-18-14(21)12-5-3-7-20(10-12)9-11-4-2-6-13(16)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyFULURKRQLBUAOE-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.00
Rot. Bonds3

About 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea

1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea (PubChem CID 86859369) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea.

Molecular Properties

Compound Name1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
PubChem CID86859369
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
SMILESCNC(=O)NNC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H21FN4O2/c1-17-15(22)19-18-14(21)12-5-3-7-20(10-12)9-11-4-2-6-13(16)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyFULURKRQLBUAOE-UHFFFAOYSA-N
XLogP1.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 95275205
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651602
N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119567883
N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42962168
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea?
The IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea (CID 86859369) is 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea.
What is the SMILES notation for 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea?
The canonical SMILES for 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea is CNC(=O)NNC(=O)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea?
The InChIKey is FULURKRQLBUAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-17-15(22)19-18-14(21)12-5-3-7-20(10-12)9-11-4-2-6-13(16)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea?
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea has a molecular weight of 308.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea is sourced from PubChem (CID 86859369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).