1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide

C13H23ClN2O — CID 103599164

IUPAC1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(CC=CCl)CC1
InChIInChI=1S/C13H23ClN2O/c1-3-16(4-2)13(17)12-6-10-15(11-7-12)9-5-8-14/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyJGNDWNMUORJKMA-UHFFFAOYSA-N
MW258.79 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide

1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 103599164) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID103599164
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(CC=CCl)CC1
InChIInChI=1S/C13H23ClN2O/c1-3-16(4-2)13(17)12-6-10-15(11-7-12)9-5-8-14/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyJGNDWNMUORJKMA-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide (CID 103599164) is 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(CC=CCl)CC1.
What is the InChIKey of 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is JGNDWNMUORJKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O/c1-3-16(4-2)13(17)12-6-10-15(11-7-12)9-5-8-14/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 258.79 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 103599164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).