N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride

C11H20ClN3O — CID 87718449

IUPACN-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride
SMILESO=C(Cl)N(C1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H20ClN3O/c12-11(16)15(10-4-6-13-7-5-10)14-8-2-1-3-9-14/h10,13H,1-9H2
InChIKeyNIAHFINVFWCUHD-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.80
Rot. Bonds2

About N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride

N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride (PubChem CID 87718449) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride
PubChem CID87718449
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride
SMILESO=C(Cl)N(C1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H20ClN3O/c12-11(16)15(10-4-6-13-7-5-10)14-8-2-1-3-9-14/h10,13H,1-9H2
InChIKeyNIAHFINVFWCUHD-UHFFFAOYSA-N
XLogP1.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride?
The IUPAC name of N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride (CID 87718449) is N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride.
What is the SMILES notation for N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride?
The canonical SMILES for N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride is O=C(Cl)N(C1CCNCC1)N1CCCCC1.
What is the InChIKey of N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride?
The InChIKey is NIAHFINVFWCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c12-11(16)15(10-4-6-13-7-5-10)14-8-2-1-3-9-14/h10,13H,1-9H2.
What are the key properties of N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride?
N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride has a molecular weight of 245.75 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-N-piperidin-4-ylcarbamoyl chloride is sourced from PubChem (CID 87718449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).