N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide

C14H26N4O — CID 155374595

IUPACN-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
SMILESC/C=C(N)\C=C/CN(C)C(=O)CN1CCN(C)CC1
InChIInChI=1S/C14H26N4O/c1-4-13(15)6-5-7-17(3)14(19)12-18-10-8-16(2)9-11-18/h4-6H,7-12,15H2,1-3H3/b6-5-,13-4+
InChIKeyKGDUFRQBLZQWOC-BDNXDWBHSA-N
MW266.39 g/mol
LogP0.11
Rot. Bonds5

About N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide

N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 155374595) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID155374595
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
SMILESC/C=C(N)\C=C/CN(C)C(=O)CN1CCN(C)CC1
InChIInChI=1S/C14H26N4O/c1-4-13(15)6-5-7-17(3)14(19)12-18-10-8-16(2)9-11-18/h4-6H,7-12,15H2,1-3H3/b6-5-,13-4+
InChIKeyKGDUFRQBLZQWOC-BDNXDWBHSA-N
XLogP0.11
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
CID 43309505
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 62822911
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
(E)-5-fluoro-1-(4-methylpiperazin-1-yl)pent-3-en-2-one
CID 162736798
(E)-5-(4-methylpiperazin-1-yl)pent-3-enamide
CID 144930358
4,4-difluoro-1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 146389433
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 43290460
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43290470
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide (CID 155374595) is N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide is C/C=C(N)\C=C/CN(C)C(=O)CN1CCN(C)CC1.
What is the InChIKey of N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KGDUFRQBLZQWOC-BDNXDWBHSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-13(15)6-5-7-17(3)14(19)12-18-10-8-16(2)9-11-18/h4-6H,7-12,15H2,1-3H3/b6-5-,13-4+.
What are the key properties of N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 266.39 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-4-aminohexa-2,4-dienyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 155374595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).