N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide

C29H56N8O2 — CID 121306066

IUPACN-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
SMILESC=C(N)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)NCCCNC(=C)N)CC2)CC1
InChIInChI=1S/C29H56N8O2/c1-24(30)32-14-4-16-34-28(38)12-22-36-18-8-26(9-19-36)6-3-7-27-10-20-37(21-11-27)23-13-29(39)35-17-5-15-33-25(2)31/h26-27,32-33H,1-23,30-31H2,(H,34,38)(H,35,39)
InChIKeyXPJLJDCKWHWBDA-UHFFFAOYSA-N
MW548.82 g/mol
LogP1.41
Rot. Bonds20

About N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide

N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide (PubChem CID 121306066) has the molecular formula C29H56N8O2 and a molecular weight of 548.82 g/mol. Its IUPAC name is N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
PubChem CID121306066
Molecular FormulaC29H56N8O2
Molecular Weight548.82 g/mol
Exact Mass548.45
IUPAC NameN-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
SMILESC=C(N)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)NCCCNC(=C)N)CC2)CC1
InChIInChI=1S/C29H56N8O2/c1-24(30)32-14-4-16-34-28(38)12-22-36-18-8-26(9-19-36)6-3-7-27-10-20-37(21-11-27)23-13-29(39)35-17-5-15-33-25(2)31/h26-27,32-33H,1-23,30-31H2,(H,34,38)(H,35,39)
InChIKeyXPJLJDCKWHWBDA-UHFFFAOYSA-N
XLogP1.41
TPSA140.78 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.82
LogP ≤ 51.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide 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-(10-acetamidodecyl)-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
CID 101463324
3-[4-[3-[1-[3-[2-(3-methylbutylamino)ethylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 167209945
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249
N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
CID 90442251
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
The IUPAC name of N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide (CID 121306066) is N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide is C=C(N)NCCCNC(=O)CCN1CCC(CCCC2CCN(CCC(=O)NCCCNC(=C)N)CC2)CC1.
What is the InChIKey of N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
The InChIKey is XPJLJDCKWHWBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N8O2/c1-24(30)32-14-4-16-34-28(38)12-22-36-18-8-26(9-19-36)6-3-7-27-10-20-37(21-11-27)23-13-29(39)35-17-5-15-33-25(2)31/h26-27,32-33H,1-23,30-31H2,(H,34,38)(H,35,39).
What are the key properties of N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide?
N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide has a molecular weight of 548.82 g/mol, XLogP of 1.41, 20 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 121306066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).