N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride

C26H47Cl2N5O — CID 53316905

IUPACN-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride
SMILESCCC(=O)N(CCCCCCCCCN=C(N)N)C1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C26H45N5O.2ClH/c1-2-25(32)31(19-12-7-5-3-4-6-11-18-29-26(27)28)24-16-21-30(22-17-24)20-15-23-13-9-8-10-14-23;;/h8-10,13-14,24H,2-7,11-12,15-22H2,1H3,(H4,27,28,29);2*1H
InChIKeyOJLPJDCXRRTKIA-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.78
Rot. Bonds15

About N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride

N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride (PubChem CID 53316905) has the molecular formula C26H47Cl2N5O and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride
PubChem CID53316905
Molecular FormulaC26H47Cl2N5O
Molecular Weight516.60 g/mol
Exact Mass515.32
IUPAC NameN-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride
SMILESCCC(=O)N(CCCCCCCCCN=C(N)N)C1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C26H45N5O.2ClH/c1-2-25(32)31(19-12-7-5-3-4-6-11-18-29-26(27)28)24-16-21-30(22-17-24)20-15-23-13-9-8-10-14-23;;/h8-10,13-14,24H,2-7,11-12,15-22H2,1H3,(H4,27,28,29);2*1H
InChIKeyOJLPJDCXRRTKIA-UHFFFAOYSA-N
XLogP4.78
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride 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-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 53316906
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
N-[[3-(aminomethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 53323523
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(2-phenylethyl)propanamide
CID 162665076
N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434

Frequently Asked Questions

What is the IUPAC name of N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride?
The IUPAC name of N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride (CID 53316905) is N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride?
The canonical SMILES for N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride is CCC(=O)N(CCCCCCCCCN=C(N)N)C1CCN(CCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride?
The InChIKey is OJLPJDCXRRTKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N5O.2ClH/c1-2-25(32)31(19-12-7-5-3-4-6-11-18-29-26(27)28)24-16-21-30(22-17-24)20-15-23-13-9-8-10-14-23;;/h8-10,13-14,24H,2-7,11-12,15-22H2,1H3,(H4,27,28,29);2*1H.
What are the key properties of N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride?
N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride has a molecular weight of 516.60 g/mol, XLogP of 4.78, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(diaminomethylideneamino)nonyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 53316905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).