[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea

C16H24N4O2 — CID 168533022

IUPAC[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea
SMILESCC1CCCN(CCOc2ccccc2C=NNC(N)=O)C1
InChIInChI=1S/C16H24N4O2/c1-13-5-4-8-20(12-13)9-10-22-15-7-3-2-6-14(15)11-18-19-16(17)21/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H3,17,19,21)
InChIKeyAUGPQTQFFJLPLX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.80
Rot. Bonds6

About [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea

[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea (PubChem CID 168533022) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea
PubChem CID168533022
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea
SMILESCC1CCCN(CCOc2ccccc2C=NNC(N)=O)C1
InChIInChI=1S/C16H24N4O2/c1-13-5-4-8-20(12-13)9-10-22-15-7-3-2-6-14(15)11-18-19-16(17)21/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H3,17,19,21)
InChIKeyAUGPQTQFFJLPLX-UHFFFAOYSA-N
XLogP1.80
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
CID 2934743
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532134
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 6054601
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375

Frequently Asked Questions

What is the IUPAC name of [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea (CID 168533022) is [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea is CC1CCCN(CCOc2ccccc2C=NNC(N)=O)C1.
What is the InChIKey of [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea?
The InChIKey is AUGPQTQFFJLPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-5-4-8-20(12-13)9-10-22-15-7-3-2-6-14(15)11-18-19-16(17)21/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H3,17,19,21).
What are the key properties of [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea?
[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea has a molecular weight of 304.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 168533022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).