[(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate

C15H21N3O3 — CID 134693385

IUPAC[(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate
SMILESNC(CCN1CCCCC1)=NOC(=O)Oc1ccccc1
InChIInChI=1S/C15H21N3O3/c16-14(9-12-18-10-5-2-6-11-18)17-21-15(19)20-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,16,17)
InChIKeyVQEAKQNATTWIKC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.35
Rot. Bonds5

About [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate

[(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate (PubChem CID 134693385) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate.

Molecular Properties

Compound Name[(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate
PubChem CID134693385
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate
SMILESNC(CCN1CCCCC1)=NOC(=O)Oc1ccccc1
InChIInChI=1S/C15H21N3O3/c16-14(9-12-18-10-5-2-6-11-18)17-21-15(19)20-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,16,17)
InChIKeyVQEAKQNATTWIKC-UHFFFAOYSA-N
XLogP2.35
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate 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 [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate?
The IUPAC name of [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate (CID 134693385) is [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate.
What is the SMILES notation for [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate?
The canonical SMILES for [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate is NC(CCN1CCCCC1)=NOC(=O)Oc1ccccc1.
What is the InChIKey of [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate?
The InChIKey is VQEAKQNATTWIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14(9-12-18-10-5-2-6-11-18)17-21-15(19)20-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,16,17).
What are the key properties of [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate?
[(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate has a molecular weight of 291.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-3-piperidin-1-ylpropylidene)amino] phenyl carbonate is sourced from PubChem (CID 134693385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).