[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C17H19ClN2O2 — CID 51104236

IUPAC[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN2O2/c1-12-14(8-11-22-12)17(21)20-9-6-13(7-10-20)19-16-5-3-2-4-15(16)18/h2-5,8,11,13,19H,6-7,9-10H2,1H3
InChIKeyUSVYZVDCWFGSMZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.96
Rot. Bonds3

About [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 51104236) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID51104236
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H19ClN2O2/c1-12-14(8-11-22-12)17(21)20-9-6-13(7-10-20)19-16-5-3-2-4-15(16)18/h2-5,8,11,13,19H,6-7,9-10H2,1H3
InChIKeyUSVYZVDCWFGSMZ-UHFFFAOYSA-N
XLogP3.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56796149
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 31427575
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 84585423
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024621
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 51104236) is [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is USVYZVDCWFGSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-14(8-11-22-12)17(21)20-9-6-13(7-10-20)19-16-5-3-2-4-15(16)18/h2-5,8,11,13,19H,6-7,9-10H2,1H3.
What are the key properties of [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 318.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 51104236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).