N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

C19H23ClN2O3 — CID 49447371

IUPACN-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C19H23ClN2O3/c1-14-2-7-18(25-14)19(23)21-16-8-10-22(11-9-16)12-13-24-17-5-3-15(20)4-6-17/h2-7,16H,8-13H2,1H3,(H,21,23)
InChIKeyJHIALBMTIWXTPE-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.51
Rot. Bonds6

About N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 49447371) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
PubChem CID49447371
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C19H23ClN2O3/c1-14-2-7-18(25-14)19(23)21-16-8-10-22(11-9-16)12-13-24-17-5-3-15(20)4-6-17/h2-7,16H,8-13H2,1H3,(H,21,23)
InChIKeyJHIALBMTIWXTPE-UHFFFAOYSA-N
XLogP3.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
trans-(1S,2S)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345733
cis-(1S,2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345732
1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119891161
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 138996283
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
5-(methoxymethyl)-N-(1-propylpiperidin-4-yl)furan-2-carboxamide
CID 78827546
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (CID 49447371) is N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is JHIALBMTIWXTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-14-2-7-18(25-14)19(23)21-16-8-10-22(11-9-16)12-13-24-17-5-3-15(20)4-6-17/h2-7,16H,8-13H2,1H3,(H,21,23).
What are the key properties of N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 49447371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).