[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea

C13H17FN4O2 — CID 63978957

IUPAC[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(F)nc2)C1
InChIInChI=1S/C13H17FN4O2/c14-11-4-3-10(7-16-11)12(19)18-5-1-2-9(8-18)6-17-13(15)20/h3-4,7,9H,1-2,5-6,8H2,(H3,15,17,20)
InChIKeyQZYZUSHOGOTXQF-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.74
Rot. Bonds3

About [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea

[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea (PubChem CID 63978957) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
PubChem CID63978957
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(F)nc2)C1
InChIInChI=1S/C13H17FN4O2/c14-11-4-3-10(7-16-11)12(19)18-5-1-2-9(8-18)6-17-13(15)20/h3-4,7,9H,1-2,5-6,8H2,(H3,15,17,20)
InChIKeyQZYZUSHOGOTXQF-UHFFFAOYSA-N
XLogP0.74
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(6-fluoro-3-pyridinyl)methanone
CID 63980337
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea (CID 63978957) is [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2ccc(F)nc2)C1.
What is the InChIKey of [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is QZYZUSHOGOTXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-11-4-3-10(7-16-11)12(19)18-5-1-2-9(8-18)6-17-13(15)20/h3-4,7,9H,1-2,5-6,8H2,(H3,15,17,20).
What are the key properties of [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea?
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 280.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 63978957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).