N-(4-chloropiperidin-1-yl)prop-2-enamide

C8H13ClN2O — CID 23039336

IUPACN-(4-chloropiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCC(Cl)CC1
InChIInChI=1S/C8H13ClN2O/c1-2-8(12)10-11-5-3-7(9)4-6-11/h2,7H,1,3-6H2,(H,10,12)
InChIKeyHWDRBPLQWCIAIO-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.91
Rot. Bonds2

About N-(4-chloropiperidin-1-yl)prop-2-enamide

N-(4-chloropiperidin-1-yl)prop-2-enamide (PubChem CID 23039336) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is N-(4-chloropiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chloropiperidin-1-yl)prop-2-enamide
PubChem CID23039336
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC NameN-(4-chloropiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCC(Cl)CC1
InChIInChI=1S/C8H13ClN2O/c1-2-8(12)10-11-5-3-7(9)4-6-11/h2,7H,1,3-6H2,(H,10,12)
InChIKeyHWDRBPLQWCIAIO-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloropiperidin-1-yl)prop-2-enamide?
The IUPAC name of N-(4-chloropiperidin-1-yl)prop-2-enamide (CID 23039336) is N-(4-chloropiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(4-chloropiperidin-1-yl)prop-2-enamide?
The canonical SMILES for N-(4-chloropiperidin-1-yl)prop-2-enamide is C=CC(=O)NN1CCC(Cl)CC1.
What is the InChIKey of N-(4-chloropiperidin-1-yl)prop-2-enamide?
The InChIKey is HWDRBPLQWCIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-2-8(12)10-11-5-3-7(9)4-6-11/h2,7H,1,3-6H2,(H,10,12).
What are the key properties of N-(4-chloropiperidin-1-yl)prop-2-enamide?
N-(4-chloropiperidin-1-yl)prop-2-enamide has a molecular weight of 188.66 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 23039336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).