[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea

C14H20N4O3 — CID 107074607

IUPAC[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cc(O)ccc2N)C1
InChIInChI=1S/C14H20N4O3/c15-12-4-3-10(19)6-11(12)13(20)18-5-1-2-9(8-18)7-17-14(16)21/h3-4,6,9,19H,1-2,5,7-8,15H2,(H3,16,17,21)
InChIKeyDQBYMVUSHPUWQQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.49
Rot. Bonds3

About [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea

[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea (PubChem CID 107074607) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
PubChem CID107074607
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2cc(O)ccc2N)C1
InChIInChI=1S/C14H20N4O3/c15-12-4-3-10(19)6-11(12)13(20)18-5-1-2-9(8-18)7-17-14(16)21/h3-4,6,9,19H,1-2,5,7-8,15H2,(H3,16,17,21)
InChIKeyDQBYMVUSHPUWQQ-UHFFFAOYSA-N
XLogP0.49
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
[1-(2-bromo-5-methylbenzoyl)piperidin-3-yl]methylurea
CID 80973642
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea (CID 107074607) is [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2cc(O)ccc2N)C1.
What is the InChIKey of [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea?
The InChIKey is DQBYMVUSHPUWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-12-4-3-10(19)6-11(12)13(20)18-5-1-2-9(8-18)7-17-14(16)21/h3-4,6,9,19H,1-2,5,7-8,15H2,(H3,16,17,21).
What are the key properties of [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea?
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea has a molecular weight of 292.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 107074607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).