N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C15H21ClN2O2 — CID 71879738

IUPACN-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESC=C(Cl)CN1CCC(NC(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(16)9-18-6-4-13(5-7-18)17-15(19)14-8-11(2)20-12(14)3/h8,13H,1,4-7,9H2,2-3H3,(H,17,19)
InChIKeyPRECNOFBIKHVFH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.84
Rot. Bonds4

About N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 71879738) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID71879738
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESC=C(Cl)CN1CCC(NC(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(16)9-18-6-4-13(5-7-18)17-15(19)14-8-11(2)20-12(14)3/h8,13H,1,4-7,9H2,2-3H3,(H,17,19)
InChIKeyPRECNOFBIKHVFH-UHFFFAOYSA-N
XLogP2.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119044723
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771781
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 120988801
2,5-dimethyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119938637
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 71879738) is N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is C=C(Cl)CN1CCC(NC(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PRECNOFBIKHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(16)9-18-6-4-13(5-7-18)17-15(19)14-8-11(2)20-12(14)3/h8,13H,1,4-7,9H2,2-3H3,(H,17,19).
What are the key properties of N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71879738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).