N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C23H39N5O — CID 10363696

IUPACN-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(CCCCCCN=C(N)N)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)
InChIKeyDFIQEYNYBQJLCL-UHFFFAOYSA-N
MW401.60 g/mol
LogP2.77
Rot. Bonds12

About N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 10363696) has the molecular formula C23H39N5O and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID10363696
Molecular FormulaC23H39N5O
Molecular Weight401.60 g/mol
Exact Mass401.32
IUPAC NameN-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(CCCCCCN=C(N)N)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)
InChIKeyDFIQEYNYBQJLCL-UHFFFAOYSA-N
XLogP2.77
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 52.77
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-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 10363696) is N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(CCCCCCN=C(N)N)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is DFIQEYNYBQJLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26).
What are the key properties of N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 401.60 g/mol, XLogP of 2.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diaminomethylideneamino)hexyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 10363696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).