(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide

C19H28N4O2 — CID 143943632

IUPAC(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide
SMILESC=N/N=C(\C)C(=O)N(C)Cc1ccc(CN2CCC(OC)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-15(21-20-2)19(24)22(3)13-16-5-7-17(8-6-16)14-23-11-9-18(25-4)10-12-23/h5-8,18H,2,9-14H2,1,3-4H3/b21-15+
InChIKeyYLYUOYAXKFOODI-RCCKNPSSSA-N
MW344.46 g/mol
LogP2.33
Rot. Bonds7

About (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide

(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide (PubChem CID 143943632) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide.

Molecular Properties

Compound Name(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide
PubChem CID143943632
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide
SMILESC=N/N=C(\C)C(=O)N(C)Cc1ccc(CN2CCC(OC)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-15(21-20-2)19(24)22(3)13-16-5-7-17(8-6-16)14-23-11-9-18(25-4)10-12-23/h5-8,18H,2,9-14H2,1,3-4H3/b21-15+
InChIKeyYLYUOYAXKFOODI-RCCKNPSSSA-N
XLogP2.33
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide with MolForge

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Related Compounds

tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
CID 124567167
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345668
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970577
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62420584
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide?
The IUPAC name of (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide (CID 143943632) is (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide.
What is the SMILES notation for (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide?
The canonical SMILES for (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide is C=N/N=C(\C)C(=O)N(C)Cc1ccc(CN2CCC(OC)CC2)cc1.
What is the InChIKey of (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide?
The InChIKey is YLYUOYAXKFOODI-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(21-20-2)19(24)22(3)13-16-5-7-17(8-6-16)14-23-11-9-18(25-4)10-12-23/h5-8,18H,2,9-14H2,1,3-4H3/b21-15+.
What are the key properties of (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide?
(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide is sourced from PubChem (CID 143943632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).