6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide

C21H33N5O2 — CID 11361220

IUPAC6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide
SMILESNC(N)=NCCCCCC(=O)NCC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H33N5O2/c22-21(23)24-12-6-2-5-9-19(27)25-16-18-10-13-26(14-11-18)20(28)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,25,27)(H4,22,23,24)
InChIKeySXYZKYGWDFKTSQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.42
Rot. Bonds10

About 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide

6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide (PubChem CID 11361220) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide.

Molecular Properties

Compound Name6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide
PubChem CID11361220
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide
SMILESNC(N)=NCCCCCC(=O)NCC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H33N5O2/c22-21(23)24-12-6-2-5-9-19(27)25-16-18-10-13-26(14-11-18)20(28)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,25,27)(H4,22,23,24)
InChIKeySXYZKYGWDFKTSQ-UHFFFAOYSA-N
XLogP1.42
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.42
H-Bond Donors ≤ 53
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 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide 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 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide?
The IUPAC name of 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide (CID 11361220) is 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide.
What is the SMILES notation for 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide?
The canonical SMILES for 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide is NC(N)=NCCCCCC(=O)NCC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide?
The InChIKey is SXYZKYGWDFKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c22-21(23)24-12-6-2-5-9-19(27)25-16-18-10-13-26(14-11-18)20(28)15-17-7-3-1-4-8-17/h1,3-4,7-8,18H,2,5-6,9-16H2,(H,25,27)(H4,22,23,24).
What are the key properties of 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide?
6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide has a molecular weight of 387.53 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylideneamino)-N-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]hexanamide is sourced from PubChem (CID 11361220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).