1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea

C10H21N5O — CID 21414712

IUPAC1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea
SMILESNC(N)=NC(=O)NCCCN1CCCCC1
InChIInChI=1S/C10H21N5O/c11-9(12)14-10(16)13-5-4-8-15-6-2-1-3-7-15/h1-8H2,(H5,11,12,13,14,16)
InChIKeyULPWWAYMFJHIEN-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds4

About 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea

1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 21414712) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea
PubChem CID21414712
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea
SMILESNC(N)=NC(=O)NCCCN1CCCCC1
InChIInChI=1S/C10H21N5O/c11-9(12)14-10(16)13-5-4-8-15-6-2-1-3-7-15/h1-8H2,(H5,11,12,13,14,16)
InChIKeyULPWWAYMFJHIEN-UHFFFAOYSA-N
XLogP-0.15
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea 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-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea (CID 21414712) is 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea is NC(N)=NC(=O)NCCCN1CCCCC1.
What is the InChIKey of 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is ULPWWAYMFJHIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c11-9(12)14-10(16)13-5-4-8-15-6-2-1-3-7-15/h1-8H2,(H5,11,12,13,14,16).
What are the key properties of 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea?
1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 227.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 21414712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).