formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene

C27H42N4O3 — CID 142930555

IUPACformaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene
SMILESC=O.C=O.CNCCCCN1CCN(c2cccc(NC(C)=O)c2)CC1.Cc1ccc(C)cc1
InChIInChI=1S/C17H28N4O.C8H10.2CH2O/c1-15(22)19-16-6-5-7-17(14-16)21-12-10-20(11-13-21)9-4-3-8-18-2;1-7-3-5-8(2)6-4-7;2*1-2/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,19,22);3-6H,1-2H3;2*1H2
InChIKeySAQXCEGFYDLCHV-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.70
Rot. Bonds7

About formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene

formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene (PubChem CID 142930555) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene.

Molecular Properties

Compound Nameformaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene
PubChem CID142930555
Molecular FormulaC27H42N4O3
Molecular Weight470.66 g/mol
Exact Mass470.33
IUPAC Nameformaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene
SMILESC=O.C=O.CNCCCCN1CCN(c2cccc(NC(C)=O)c2)CC1.Cc1ccc(C)cc1
InChIInChI=1S/C17H28N4O.C8H10.2CH2O/c1-15(22)19-16-6-5-7-17(14-16)21-12-10-20(11-13-21)9-4-3-8-18-2;1-7-3-5-8(2)6-4-7;2*1-2/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,19,22);3-6H,1-2H3;2*1H2
InChIKeySAQXCEGFYDLCHV-UHFFFAOYSA-N
XLogP3.70
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;formaldehyde;N-methyl-3-[4-[4-(methylamino)butyl]piperazin-1-yl]aniline;propanal;1,4-xylene
CID 142972317
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
CID 142930531
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
1-[3-(2,2-dimethylpropanoylamino)phenyl]-4-[4-(4-methyl-N-sulfinatoanilino)butyl]piperazine
CID 67013257
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene?
The IUPAC name of formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene (CID 142930555) is formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene.
What is the SMILES notation for formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene?
The canonical SMILES for formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene is C=O.C=O.CNCCCCN1CCN(c2cccc(NC(C)=O)c2)CC1.Cc1ccc(C)cc1.
What is the InChIKey of formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene?
The InChIKey is SAQXCEGFYDLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.C8H10.2CH2O/c1-15(22)19-16-6-5-7-17(14-16)21-12-10-20(11-13-21)9-4-3-8-18-2;1-7-3-5-8(2)6-4-7;2*1-2/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,19,22);3-6H,1-2H3;2*1H2.
What are the key properties of formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene?
formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene has a molecular weight of 470.66 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene is sourced from PubChem (CID 142930555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).