2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide

C19H30N4O2 — CID 167988186

IUPAC2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)CO/N=C(\N)C(C)C)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)19(20)22-25-13-18(24)21-17-8-10-23(11-9-17)12-16-7-5-4-6-15(16)3/h4-7,14,17H,8-13H2,1-3H3,(H2,20,22)(H,21,24)
InChIKeyHAOJVZIHLIFNJD-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.02
Rot. Bonds7

About 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide

2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 167988186) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID167988186
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)CO/N=C(\N)C(C)C)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)19(20)22-25-13-18(24)21-17-8-10-23(11-9-17)12-16-7-5-4-6-15(16)3/h4-7,14,17H,8-13H2,1-3H3,(H2,20,22)(H,21,24)
InChIKeyHAOJVZIHLIFNJD-UHFFFAOYSA-N
XLogP2.02
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.02
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

2-(2-butan-2-ylphenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753957
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide
CID 136556054
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55866230
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861004
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide (CID 167988186) is 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide is Cc1ccccc1CN1CCC(NC(=O)CO/N=C(\N)C(C)C)CC1.
What is the InChIKey of 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is HAOJVZIHLIFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)19(20)22-25-13-18(24)21-17-8-10-23(11-9-17)12-16-7-5-4-6-15(16)3/h4-7,14,17H,8-13H2,1-3H3,(H2,20,22)(H,21,24).
What are the key properties of 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 167988186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).