N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride

C11H20ClN3O — CID 22727518

IUPACN-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride
SMILESO=C(Cl)NN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H20ClN3O/c12-11(16)13-15-8-4-10(5-9-15)14-6-2-1-3-7-14/h10H,1-9H2,(H,13,16)
InChIKeyZLJBKBNDINZKRH-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.80
Rot. Bonds2

About N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride

N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride (PubChem CID 22727518) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride
PubChem CID22727518
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride
SMILESO=C(Cl)NN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H20ClN3O/c12-11(16)13-15-8-4-10(5-9-15)14-6-2-1-3-7-14/h10H,1-9H2,(H,13,16)
InChIKeyZLJBKBNDINZKRH-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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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl) carbonochloridate
CID 22117404
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride?
The IUPAC name of N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride (CID 22727518) is N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride.
What is the SMILES notation for N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride?
The canonical SMILES for N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride is O=C(Cl)NN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride?
The InChIKey is ZLJBKBNDINZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c12-11(16)13-15-8-4-10(5-9-15)14-6-2-1-3-7-14/h10H,1-9H2,(H,13,16).
What are the key properties of N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride?
N-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl 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-(4-piperidin-1-ylpiperidin-1-yl)carbamoyl chloride is sourced from PubChem (CID 22727518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).