N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide

C27H41N5O2 — CID 171654270

IUPACN'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide
SMILESC=c1ccn(Cc2ccc(CN3CCNCC3)cc2OC)/c1=C(/N=C(/N)CC)OCCCCC
InChIInChI=1S/C27H41N5O2/c1-5-7-8-17-34-27(30-25(28)6-2)26-21(3)11-14-32(26)20-23-10-9-22(18-24(23)33-4)19-31-15-12-29-13-16-31/h9-11,14,18,29H,3,5-8,12-13,15-17,19-20H2,1-2,4H3,(H2,28,30)/b27-26-
InChIKeyBSLFLJPZWADBAJ-RQZHXJHFSA-N
MW467.66 g/mol
LogP2.40
Rot. Bonds12

About N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide

N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide (PubChem CID 171654270) has the molecular formula C27H41N5O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide.

Molecular Properties

Compound NameN'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide
PubChem CID171654270
Molecular FormulaC27H41N5O2
Molecular Weight467.66 g/mol
Exact Mass467.33
IUPAC NameN'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide
SMILESC=c1ccn(Cc2ccc(CN3CCNCC3)cc2OC)/c1=C(/N=C(/N)CC)OCCCCC
InChIInChI=1S/C27H41N5O2/c1-5-7-8-17-34-27(30-25(28)6-2)26-21(3)11-14-32(26)20-23-10-9-22(18-24(23)33-4)19-31-15-12-29-13-16-31/h9-11,14,18,29H,3,5-8,12-13,15-17,19-20H2,1-2,4H3,(H2,28,30)/b27-26-
InChIKeyBSLFLJPZWADBAJ-RQZHXJHFSA-N
XLogP2.40
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1E)-1-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]heptyl]ethanimidamide
CID 171654200
2-amino-N-[[4-[[(2E)-2-[[(E)-1-aminopropylideneamino]-(pentylamino)methylidene]-3-methylidenepyrrol-1-yl]methyl]-3-methoxyphenyl]methoxymethyl]acetamide
CID 171654132
N'-[(E)-[1-[[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]-2-methoxyphenyl]methyl]-3-methylidenepyrrol-2-ylidene]-(pentylamino)methyl]ethanimidamide
CID 171654195
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
5-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-4-pentylsulfanylpyrrolo[3,2-d]pyrimidin-2-amine
CID 171548676
2-butyl-5-(piperazin-1-ylmethyl)benzamide
CID 174560314
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
1-[(5-ethyl-3-methoxy-2-octoxyphenyl)methyl]piperazine
CID 175598392
N-[[4-(1,4-diazepan-1-ylmethyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 84746317
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
5-[[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 159669949

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide?
The IUPAC name of N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide (CID 171654270) is N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide.
What is the SMILES notation for N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide?
The canonical SMILES for N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide is C=c1ccn(Cc2ccc(CN3CCNCC3)cc2OC)/c1=C(/N=C(/N)CC)OCCCCC.
What is the InChIKey of N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide?
The InChIKey is BSLFLJPZWADBAJ-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H41N5O2/c1-5-7-8-17-34-27(30-25(28)6-2)26-21(3)11-14-32(26)20-23-10-9-22(18-24(23)33-4)19-31-15-12-29-13-16-31/h9-11,14,18,29H,3,5-8,12-13,15-17,19-20H2,1-2,4H3,(H2,28,30)/b27-26-.
What are the key properties of N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide?
N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide has a molecular weight of 467.66 g/mol, XLogP of 2.40, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[1-[[2-methoxy-4-(piperazin-1-ylmethyl)phenyl]methyl]-3-methylidenepyrrol-2-ylidene]-pentoxymethyl]propanimidamide is sourced from PubChem (CID 171654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).