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

C13H23ClN2O — CID 86870567

IUPAC1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
SMILESC=C(Cl)CN1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C13H23ClN2O/c1-4-16(5-2)13(17)12-6-8-15(9-7-12)10-11(3)14/h12H,3-10H2,1-2H3
InChIKeyKCRUCRBIBUNKPT-UHFFFAOYSA-N
MW258.79 g/mol
LogP2.32
Rot. Bonds5

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

1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 86870567) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID86870567
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
SMILESC=C(Cl)CN1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C13H23ClN2O/c1-4-16(5-2)13(17)12-6-8-15(9-7-12)10-11(3)14/h12H,3-10H2,1-2H3
InChIKeyKCRUCRBIBUNKPT-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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Related Compounds

1-(3-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
CID 103599164
N,N-diethyl-1-methoxypiperidine-4-carboxamide
CID 59857748
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259
1-[(2-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 5024402
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 762868
1-(2-chloroprop-2-enyl)-4-methylazepane
CID 130709084
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 71967809

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide (CID 86870567) is 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide is C=C(Cl)CN1CCC(C(=O)N(CC)CC)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is KCRUCRBIBUNKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O/c1-4-16(5-2)13(17)12-6-8-15(9-7-12)10-11(3)14/h12H,3-10H2,1-2H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide?
1-(2-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-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 86870567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).