4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide

C43H86N4O — CID 171073885

IUPAC4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide
SMILESC=C(CC(NC1CCN(C)CC1)C(=O)N(CCCCCCCC)CCCCCCCC)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C43H86N4O/c1-7-11-15-19-23-27-33-46(34-28-24-20-16-12-8-2)40(5)39-42(44-41-31-37-45(6)38-32-41)43(48)47(35-29-25-21-17-13-9-3)36-30-26-22-18-14-10-4/h41-42,44H,5,7-39H2,1-4,6H3
InChIKeyUNEUQDKPUMWGKX-UHFFFAOYSA-N
MW675.19 g/mol
LogP11.52
Rot. Bonds34

About 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide

4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide (PubChem CID 171073885) has the molecular formula C43H86N4O and a molecular weight of 675.19 g/mol. Its IUPAC name is 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide.

Molecular Properties

Compound Name4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide
PubChem CID171073885
Molecular FormulaC43H86N4O
Molecular Weight675.19 g/mol
Exact Mass674.68
IUPAC Name4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide
SMILESC=C(CC(NC1CCN(C)CC1)C(=O)N(CCCCCCCC)CCCCCCCC)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C43H86N4O/c1-7-11-15-19-23-27-33-46(34-28-24-20-16-12-8-2)40(5)39-42(44-41-31-37-45(6)38-32-41)43(48)47(35-29-25-21-17-13-9-3)36-30-26-22-18-14-10-4/h41-42,44H,5,7-39H2,1-4,6H3
InChIKeyUNEUQDKPUMWGKX-UHFFFAOYSA-N
XLogP11.52
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.19
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide 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

2-[[(3S)-3,6-diaminohex-1-en-2-yl]amino]-N-methyl-N-octadecylacetamide
CID 59918269
1,4-bis[2-(dimethylamino)ethyl]-N-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]piperazine-2-carboxamide
CID 86302774
1,4-bis[2-(dimethylamino)ethyl]-N-heptatriaconta-6,9,28,31-tetraen-19-ylpiperazine-2-carboxamide
CID 124019298
2-[2-(Didodecylamino)ethyl-nonylamino]-1-[4-[3-(dodecylamino)prop-1-en-2-yl]piperazin-1-yl]ethanone
CID 132156483
2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide
CID 135182766
4-amino-N-hexadecyl-2-[[(10E)-nonadeca-1,10-dien-2-yl]amino]butanamide
CID 138500259
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide;molecular hydrogen
CID 142558098
(2S)-2-[(2-cyclopropylacetyl)amino]-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558125
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
CID 142558253
ethane;(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;molecular hydrogen
CID 142558292
(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558345
(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide
CID 144649713

Frequently Asked Questions

What is the IUPAC name of 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide?
The IUPAC name of 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide (CID 171073885) is 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide.
What is the SMILES notation for 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide?
The canonical SMILES for 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide is C=C(CC(NC1CCN(C)CC1)C(=O)N(CCCCCCCC)CCCCCCCC)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide?
The InChIKey is UNEUQDKPUMWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H86N4O/c1-7-11-15-19-23-27-33-46(34-28-24-20-16-12-8-2)40(5)39-42(44-41-31-37-45(6)38-32-41)43(48)47(35-29-25-21-17-13-9-3)36-30-26-22-18-14-10-4/h41-42,44H,5,7-39H2,1-4,6H3.
What are the key properties of 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide?
4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide has a molecular weight of 675.19 g/mol, XLogP of 11.52, 34 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide is sourced from PubChem (CID 171073885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).