N,N-di(piperidin-1-yl)carbamoyl chloride

C11H20ClN3O — CID 87761932

IUPACN,N-di(piperidin-1-yl)carbamoyl chloride
SMILESO=C(Cl)N(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20ClN3O/c12-11(16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H2
InChIKeyAOFDARITASWQJB-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.45
Rot. Bonds2

About N,N-di(piperidin-1-yl)carbamoyl chloride

N,N-di(piperidin-1-yl)carbamoyl chloride (PubChem CID 87761932) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N,N-di(piperidin-1-yl)carbamoyl chloride.

Molecular Properties

Compound NameN,N-di(piperidin-1-yl)carbamoyl chloride
PubChem CID87761932
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN,N-di(piperidin-1-yl)carbamoyl chloride
SMILESO=C(Cl)N(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20ClN3O/c12-11(16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H2
InChIKeyAOFDARITASWQJB-UHFFFAOYSA-N
XLogP2.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-di(piperidin-1-yl)carbamoyl chloride?
The IUPAC name of N,N-di(piperidin-1-yl)carbamoyl chloride (CID 87761932) is N,N-di(piperidin-1-yl)carbamoyl chloride.
What is the SMILES notation for N,N-di(piperidin-1-yl)carbamoyl chloride?
The canonical SMILES for N,N-di(piperidin-1-yl)carbamoyl chloride is O=C(Cl)N(N1CCCCC1)N1CCCCC1.
What is the InChIKey of N,N-di(piperidin-1-yl)carbamoyl chloride?
The InChIKey is AOFDARITASWQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c12-11(16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H2.
What are the key properties of N,N-di(piperidin-1-yl)carbamoyl chloride?
N,N-di(piperidin-1-yl)carbamoyl chloride has a molecular weight of 245.75 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(piperidin-1-yl)carbamoyl chloride is sourced from PubChem (CID 87761932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).