2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide

C15H22N4O2 — CID 52767527

IUPAC2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
SMILESNC(=O)CO/N=C(\N)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H22N4O2/c16-14(20)11-21-18-15(17)13-6-4-5-12(9-13)10-19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10-11H2,(H2,16,20)(H2,17,18)
InChIKeySXPDCJDPLCUAHK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.79
Rot. Bonds6

About 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide

2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide (PubChem CID 52767527) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
PubChem CID52767527
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
SMILESNC(=O)CO/N=C(\N)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H22N4O2/c16-14(20)11-21-18-15(17)13-6-4-5-12(9-13)10-19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10-11H2,(H2,16,20)(H2,17,18)
InChIKeySXPDCJDPLCUAHK-UHFFFAOYSA-N
XLogP0.79
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870977
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
CID 52909258
N'-[2-(4-fluorophenoxy)ethoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870968
2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide
CID 72691990
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 60615571
3-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24694260
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide?
The IUPAC name of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide (CID 52767527) is 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide.
What is the SMILES notation for 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide?
The canonical SMILES for 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide is NC(=O)CO/N=C(\N)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide?
The InChIKey is SXPDCJDPLCUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-14(20)11-21-18-15(17)13-6-4-5-12(9-13)10-19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10-11H2,(H2,16,20)(H2,17,18).
What are the key properties of 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide?
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide is sourced from PubChem (CID 52767527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).