2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide

C22H36N4O2 — CID 72691990

IUPAC2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide
SMILESCC(ON=C(N)c1cccc(CN2CCCCC2)c1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C22H36N4O2/c1-16(2)26(17(3)4)22(27)18(5)28-24-21(23)20-11-9-10-19(14-20)15-25-12-7-6-8-13-25/h9-11,14,16-18H,6-8,12-13,15H2,1-5H3,(H2,23,24)
InChIKeyQLSPYULJVIHLEA-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.34
Rot. Bonds8

About 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide

2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide (PubChem CID 72691990) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide
PubChem CID72691990
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide
SMILESCC(ON=C(N)c1cccc(CN2CCCCC2)c1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C22H36N4O2/c1-16(2)26(17(3)4)22(27)18(5)28-24-21(23)20-11-9-10-19(14-20)15-25-12-7-6-8-13-25/h9-11,14,16-18H,6-8,12-13,15H2,1-5H3,(H2,23,24)
InChIKeyQLSPYULJVIHLEA-UHFFFAOYSA-N
XLogP3.34
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
CID 52767527
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870977
2-[[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72692184
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
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
3-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24694260
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide (CID 72691990) is 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide is CC(ON=C(N)c1cccc(CN2CCCCC2)c1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide?
The InChIKey is QLSPYULJVIHLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-16(2)26(17(3)4)22(27)18(5)28-24-21(23)20-11-9-10-19(14-20)15-25-12-7-6-8-13-25/h9-11,14,16-18H,6-8,12-13,15H2,1-5H3,(H2,23,24).
What are the key properties of 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide?
2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide has a molecular weight of 388.56 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 72691990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).